SCHEMBL438492

SCHEMBL438492

O=C1NC[C@@H]2CCCC[C@H]12

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
AR P10275 3/20 0.36
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CDC7 O00311 1/20 0.31

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
SCHEMBL14625407 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL8789437 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL7621446 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL258503 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL7621444 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL6503043 1.00 MAPT (0.38) MAPTARLMNATSHRALDH1A1
SCHEMBL10925441 0.98 MAPT (0.41) MAPTARLMNATSHRALDH1A1
SCHEMBL2789219 0.95
SCHEMBL27274192 0.95
SCHEMBL25768512 0.86 AR (0.33) ARCDC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030719-A1 NOVEL METHOD FOR PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO claimed
US-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-08-06 US disclosed
US-9029381-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2015-05-12 US disclosed
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 ASTRAZENECA AB (SE) 2012-03-15 US disclosed
WO-2011162562-A2 [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-12-29 WO disclosed
US-8063215-B2 Cyclopropyl amide derivatives ASTRAZENECA AB (SE) 2011-11-22 US disclosed
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-7414056-B2 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-19 US disclosed
US-7405213-B2 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-29 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7253167-B2 Tricyclic-heteroaryl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2005030719-A1 NOVEL METHOD FOR PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO disclosed
WO-2005030718-A1 NOVEL METHOD OF PREPARING CIS-OCTAHYDRO-ISOINDOLE LES LABORATOIRES SERVIER (FR) 2005-04-07 WO disclosed
EP-0213506-A1 Saturated cycloalkyl[c]pyrrole-2(1H)-acetic acid amides and derivatives thereof WARNER-LAMBERT COMPANY (US) 1987-03-11 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 (4 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-20150216861-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 MAPT 1670/4885AR 1269/4885LMNA 4640/4885
US-20070004733-A1 Pyrrolotriazine compounds useful as kinase inhibitors and methods of treating kinase-associated conditions therewith MAP3K20, PRKDC, MAP3K2 MAPT 956/4885AR 4180/4885LMNA 2351/4885
US-20090076020-A1 Cyclopropyl Amide Derivatives 978 HRH4, HRH2, HRH3 MAPT 1618/4885AR 1106/4885LMNA 4612/4885
US-20120065193-A1 Cyclopropyl Amide Derivatives '978 HRH2, HRH4, HRH3 MAPT 1361/4885AR 842/4885LMNA 4722/4885

“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.