SCHEMBL544161

SCHEMBL544161

NCC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.68
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
LMNA P02545 4/20 0.62
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 1/20 0.62
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.59
HTR7 P34969 1/20 0.59
MAPK1 P28482 2/20 0.59
FAAH O00519 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL31462263 0.98 SIGMAR1 (0.67) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL15224106 0.89 SIGMAR1 (0.69) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6681439 0.85 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL5064043 0.85 ALDH1A1 (0.71) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL15224158 0.84 SIGMAR1 (0.73) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL15224104 0.84 FAAH (0.60) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL8900932 0.84 SIGMAR1 (0.83) SIGMAR1KMT2AMEN1POLBFAAH
SCHEMBL2841801 0.83 ALDH1A1 (0.68) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL5247018 0.83 FAAH (0.63) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL3222136 0.83 ALDH1A1 (0.66) SIGMAR1ALDH1A1SMN1; SMN2LMNAKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50878-E1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-05 US disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
US-10772891-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2020-09-15 US disclosed
US-20180235976-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2018-08-23 US disclosed
US-9974791-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-05-22 US disclosed
EP-2860179-B1 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-03-14 EP disclosed
EP-2970311-A2 BMP INHIBITORS AND METHODS OF USE THEREOF The Brigham and Women's Hospital, Inc. (US) 2016-01-20 EP disclosed
US-20150290208-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2015-10-15 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-10-22 US disclosed
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C GILEAD SCIENCES, INC. (US) 2009-05-21 US disclosed
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2009-02-05 US disclosed
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors AVENTIS PHARMA S.A. (FR) 2008-08-14 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 SIGMAR1 561/4885ALDH1A1 2252/4885SMN1; SMN2 2355/4885
US-20080194555-A1 Novel Benzimidazole and Benzothiazole Derivatives, Method for Preparing Same, Use Thereof as Drugs, Pharmaceutical Compositions and Novel Use Especially as c-MET Inhibitors MET, KIT, MERTK SIGMAR1 1323/4885ALDH1A1 390/4885SMN1; SMN2 4373/4885
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 SIGMAR1 1936/4885ALDH1A1 3332/4885SMN1; SMN2 4665/4885
US-20150290208-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB SIGMAR1 3069/4885ALDH1A1 230/4885SMN1; SMN2 2521/4885
US-20090131414-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C DPYD, TYMP, PNPO SIGMAR1 3744/4885ALDH1A1 1010/4885SMN1; SMN2 2873/4885
US-20080004285-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP SIGMAR1 1062/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 SIGMAR1 563/4885ALDH1A1 3354/4885SMN1; SMN2 4371/4885
US-20090036430-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP SIGMAR1 1062/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885
US-20180235976-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB SIGMAR1 3069/4885ALDH1A1 230/4885SMN1; SMN2 2521/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A SIGMAR1 609/4885ALDH1A1 2087/4885SMN1; SMN2 2374/4885
US-10772891-B2 Pyrazolo pyridine derivatives as NADPH oxidase inhibitors NOX1, NOX4, CYBB SIGMAR1 3069/4885ALDH1A1 230/4885SMN1; SMN2 2521/4885
US-20090264415-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT PNPO, TYMP, PNP SIGMAR1 1062/4885ALDH1A1 1225/4885SMN1; SMN2 709/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 SIGMAR1 1936/4885ALDH1A1 3332/4885SMN1; SMN2 4665/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.