SCHEMBL7923616

SCHEMBL7923616

CC(C)(C)NCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
SLC6A4 P31645 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 1/20 0.45
CYP2C9 P11712 2/20 0.44
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL5839383 0.88 LTA4H (0.46) NPSR1KDM4ERAB9A
SCHEMBL13959188 0.82 ALDH1A1 (0.65) KMT2AMEN1POLBKDM4E
SCHEMBL13064544 0.81 L3MBTL1 (0.53) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL8040670 0.79 CHRM2 (0.47) KMT2AMEN1SMN1; SMN2CHRM2POLB
SCHEMBL22887096 0.79 LTA4H (0.41) KMT2AKDM4ERAB9A
SCHEMBL15961525 0.79 LMNA (0.48) NPSR1KMT2AMEN1SMN1; SMN2TAAR1
SCHEMBL3440203 0.79 LOXL2 (0.50) KMT2AMEN1KDM4E
SCHEMBL15961519 0.78 RAB9A (0.50) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL13900372 0.78 TAAR1 (0.61) NPSR1SLC6A2HTR2ASLC6A4HRH1
SCHEMBL8058539 0.77 TPSAB1 (0.45) CYP2C19CYP1A2CYP2C9TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2023-02-09 US disclosed
US-10829453-B2 Antagonists of the kappa opioid receptor UNIVERSITY OF KANSAS (US) 2020-11-10 US disclosed
US-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents UNIVERSITY OF KANSAS (US) 2020-08-18 US disclosed
US-10561661-B2 Purine derivative compounds for medical use MANROS THERAPEUTICS (FR) 2020-02-18 US disclosed
US-20190300486-A1 ANTAGONISTS OF THE KAPPA OPIOID RECEPTOR UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2019-10-03 US disclosed
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2019-01-24 US disclosed
US-10118896-B2 Antagonists of the kappa opioid receptor UNIVERSITY OF KANSAS (US) 2018-11-06 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents HILL JASON 2009-01-08 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CUBIST PHARMACEUTICALS, INC. 2008-11-20 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20070293511-A1 Crf Receptor Antagonists and Methods SB PHARMCO PUERTO RICO INC. AND NEUROCRINE BIOSCIENCES, INC., A CORPORATION 2007-12-20 US disclosed
US-6194461-B1 USEFUL AS MEDICAMENT FOR TREATING RETINAL DEGENERATIVE DISORDERS; ALPHA-(2,4-DIFLUOROPHENYL)-N-T-BUTYLNITRONE, AND CORRESPONDING AMINES WHICH WOULD BE CONVERTED IN VIVO TO THE NITRONE, FOR EXAMPLE SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-02-27 US disclosed
EP-0945426-A1 NITRONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-29 EP 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 (12 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-10745386-B2 Coumarin based HSP90 inhibitors with urea and ether substituents HSP90B1, HSP90AA1, HSP90AB1 NPSR1 3264/4885SLC6A2 4422/4885HTR2A 3720/4885
US-20070293511-A1 Crf Receptor Antagonists and Methods CRHR1, CRHR2, CRH NPSR1 23/4885SLC6A2 133/4885HTR2A 26/4885
US-20080287347-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP NPSR1 2127/4885SLC6A2 4850/4885HTR2A 4199/4885
US-10829453-B2 Antagonists of the kappa opioid receptor OPRK1, OPRD1, OPRL1 NPSR1 20/4885SLC6A2 187/4885HTR2A 71/4885
US-20090011977-A1 Novel Lipopeptides as Antibacterial Agents CLPTM1, NGLY1, VIP NPSR1 2127/4885SLC6A2 4850/4885HTR2A 4199/4885
US-10118896-B2 Antagonists of the kappa opioid receptor OPRK1, OPRD1, OPRL1 NPSR1 20/4885SLC6A2 187/4885HTR2A 71/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 NPSR1 2573/4885SLC6A2 2826/4885HTR2A 874/4885
US-20190300486-A1 ANTAGONISTS OF THE KAPPA OPIOID RECEPTOR OPRK1, OPRD1, OPRL1 NPSR1 20/4885SLC6A2 187/4885HTR2A 71/4885
US-10561661-B2 Purine derivative compounds for medical use MSR1, TPMT, M6PR NPSR1 578/4885SLC6A2 912/4885HTR2A 1748/4885
US-20230041761-A1 SMALL MOLECULE MODULATORS OF SIGMA-1 AND SIGMA-2 RECEPTORS AND USES THEREOF SIGMAR1, TMEM97, OPRM1 NPSR1 264/4885SLC6A2 322/4885HTR2A 9/4885
US-20190023698-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 NPSR1 3251/4885SLC6A2 4426/4885HTR2A 3742/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 NPSR1 3405/4885SLC6A2 2370/4885HTR2A 2363/4885

“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.