SCHEMBL862113

SCHEMBL862113

CC(C)(N)CN1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 4/20 0.40
SIGMAR1 Q99720 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 2/20 0.38
GAA P10253 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
ANPEP P15144 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GLA P06280 1/20 0.33

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 SCHEMBL17257995 0.98 SMN1; SMN2 (0.40) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1
SCHEMBL12017298 0.83 SMN1; SMN2 (0.36) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1
SCHEMBL28819145 0.82 ALDH1A1 (0.44) SMN1; SMN2KEAP1KDM4EALDH1A1RECQL
SCHEMBL4967922 0.82 ALDH1A1 (0.44) SMN1; SMN2KEAP1KDM4EALDH1A1RECQL
SCHEMBL522905 0.82 ALOX15 (0.32) ALOX15
SCHEMBL11640031 0.80 SMN1; SMN2 (0.38) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1
SCHEMBL179555 0.80 ALDH1A1 (0.41) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1
SCHEMBL10628686 0.79 KDM4E (0.41) SMN1; SMN2KEAP1KDM4EALDH1A1RECQL
SCHEMBL31277000 0.78 SMN1; SMN2 (0.36) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1
SCHEMBL10153213 0.78 ALDH1A1 (0.40) SMN1; SMN2KEAP1KDM4ESIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104768993-B Method for preparing composite component 科思创德国股份有限公司 2018-02-16 CN claimed
CN-103890059-B Fiber strengthened poly-isocyanurate part and its manufacture method 科思创德国股份有限公司 2017-07-18 CN claimed
US-20150252047-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-09-10 US claimed
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 US claimed
CN-104768993-A Method for producing composite components BAYER MATERIALSCIENCE AG 2015-07-08 CN claimed
CN-103890059-A FIBRE-REINFORCED POLYISOCYANURATE COMPONENT AND A METHOD FOR PRODUCTION THEREOF BAYER IP GMBH 2014-06-25 CN claimed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed
EP-1797054-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI Pharmaceuticals, Inc. (US) 2007-06-20 EP claimed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US claimed
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2006-09-21 US claimed
WO-2006017443-A2 ARYL-AMINO SUBSTITUTED PYRROLOPYRIMIDINE MULTI-KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2006-02-16 WO claimed
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
US-4429023-A DIAMINE DISPERSANT OF PIGMENT IN BINDER AKZONA INCORPORATED (US) 1984-01-31 US claimed
US-4334887-A DIAMINE COMPLEXING AGENT AKZONA INCORPORATED (US) 1982-06-15 US claimed
CN-119019346-A Heterocyclic polyamine compound, preparation method and application thereof, and heterocyclic polyamine combined solution 大连理工大学 2024-11-26 CN disclosed
US-11746091-B2 Cannabinoid receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2023-09-05 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
US-4429023-A DIAMINE DISPERSANT OF PIGMENT IN BINDER AKZONA INCORPORATED (US) 1984-01-31 US disclosed
US-4334887-A DIAMINE COMPLEXING AGENT AKZONA INCORPORATED (US) 1982-06-15 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 (6 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 SMN1; SMN2 3382/4885KEAP1 1294/4885KDM4E 3477/4885
US-20060211678-A1 Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds BMX, ERBB2, FRK SMN1; SMN2 1644/4885KEAP1 2052/4885KDM4E 975/4885
US-11746091-B2 Cannabinoid receptor modulators CNR1, CNR2, TRPV1 SMN1; SMN2 208/4885KEAP1 2753/4885KDM4E 3533/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK SMN1; SMN2 1697/4885KEAP1 2327/4885KDM4E 1133/4885
US-20150218173-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERFOLIFERATIVE DISORDERS CCND2, ARG2, ARG1 SMN1; SMN2 1733/4885KEAP1 1385/4885KDM4E 3846/4885
US-20150252047-A1 SUBSTITUTED INDAZOL-PYRROLOPYRIMIDINES USEFUL IN THE TREATMENT OF HYPERPROLIFERATIVE DISEASES CCND2, CCND1, CCNA1 SMN1; SMN2 2350/4885KEAP1 2283/4885KDM4E 2277/4885

“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.