SCHEMBL7701418

SCHEMBL7701418

CC(C)N1CCCC(C(N)=O)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
BCHE P06276 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
LMNA P02545 2/20 0.45
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
PARP1 P09874 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL12258852 1.00 KMT2A (0.47) KMT2AALDH1A1MAPK1BCHEKDM2B
SCHEMBL12258721 1.00 KMT2A (0.47) KMT2AALDH1A1MAPK1BCHEKDM2B
SCHEMBL24869974 0.89 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPK1BCHEKDM2B
SCHEMBL9917270 0.89 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL12259065 0.89 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL12259093 0.89 SMN1; SMN2 (0.46) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL8260723 0.87 KMT2A (0.41) KMT2AALDH1A1MAPK1BCHEKDM2B
SCHEMBL17789640 0.85 SMN1; SMN2 (0.47) KMT2AALDH1A1MAPK1BCHELMNA
SCHEMBL28870796 0.85 KDM2B (0.48) KMT2AALDH1A1KDM2BGAAPARP1
SCHEMBL8062721 0.83 ALDH1A1 (0.49) KMT2AALDH1A1KDM2BHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315568-A1 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. 2022-10-06 US disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 US disclosed
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-12-07 US disclosed
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2017-10-19 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9656968-B2 Pyrimidines as sodium channel blockers PURDUE PHARMA L.P. 2017-05-23 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7671058-B2 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-03-02 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-09-18 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 KMT2A 2995/4885ALDH1A1 1552/4885MAPK1 1413/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 KMT2A 2078/4885ALDH1A1 1216/4885MAPK1 681/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 KMT2A 1304/4885ALDH1A1 250/4885MAPK1 1355/4885
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR KMT2A 1463/4885ALDH1A1 586/4885MAPK1 1742/4885
US-20170298027-A1 PYRIMIDINES AS SODIUM CHANNEL BLOCKERS P2RX3, CACNA1A, P2RX4 KMT2A 3494/4885ALDH1A1 668/4885MAPK1 3105/4885
US-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 KMT2A 1658/4885ALDH1A1 1315/4885MAPK1 698/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 KMT2A 1524/4885ALDH1A1 1999/4885MAPK1 580/4885
US-20080227784-A1 N-(3,4-disubstituted phenyl) salicylamide derivatives STAT6, RELA, NFKB2 KMT2A 3606/4885ALDH1A1 2263/4885MAPK1 629/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A KMT2A 1908/4885ALDH1A1 1556/4885MAPK1 940/4885
US-20220315568-A1 INHIBITORS OF SARM1 SARM1, SMN1; SMN2, SARNP KMT2A 3434/4885ALDH1A1 4157/4885MAPK1 1113/4885
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 KMT2A 2617/4885ALDH1A1 1193/4885MAPK1 1104/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KMT2A 2900/4885ALDH1A1 526/4885MAPK1 1417/4885
US-20170349595-A1 SMALL MOLECULE MYRISTATE INHIBITORS OF BCR-ABL AND ABL AND METHODS OF USE BCR, ABL1, ABL2 KMT2A 422/4885ALDH1A1 1282/4885MAPK1 299/4885

“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.