SCHEMBL1270460

SCHEMBL1270460

CN(C[C@H]1COCCO1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GBA1 P04062 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL1270970 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL1270933 1.00 NPC1 (0.47) NPC1RAB9AMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL4768007 0.92 NPC1 (0.42) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL12290332 0.90 ALDH1A1 (0.46) KMT2ACYP1A2SIGMAR1ALDH1A1GAA
SCHEMBL12080377 0.78 KMT2A (0.51) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL22932479 0.78 KMT2A (0.51) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL5540914 0.77 HTR2A (0.40) MEN1KMT2AKDM4ELMNAL3MBTL1
SCHEMBL25292448 0.76 SIGMAR1 (0.51) NPC1RAB9AKMT2ASIGMAR1ALDH1A1
SCHEMBL2621329 0.76 SIGMAR1 (0.44) KMT2ASIGMAR1ALDH1A1GAAMAPT
SCHEMBL10168839 0.76 ALDH1A1 (0.45) SIGMAR1ALDH1A1LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7893081-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2011-02-22 US disclosed
US-7893081-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2011-02-22 US disclosed
US-7893081-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2011-02-22 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090182002-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-07-16 US disclosed
US-20090182002-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-07-16 US disclosed
US-20090182002-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-07-16 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
CN-101203495-A Benzocycloheptapyridine compounds as inhibitors of receptor tyrosine kinase MET MERCK & CO INC (US) 2008-06-18 CN disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
WO-2007002258-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO 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 (2 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-20090182002-A1 Tyrosine kinase inhibitors JAK1, JAK2, LCK NPC1 3932/4885RAB9A 3462/4885MEN1 1826/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 NPC1 1512/4885RAB9A 2745/4885MEN1 2383/4885

“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.