SCHEMBL4388913

SCHEMBL4388913

CC(=O)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
CTSS P25774 7/20 0.47
CTSK P43235 7/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 1/20 0.44
GLS O94925 1/20 0.42
CYP2D6 P10635 1/20 0.42
ATM Q13315 1/20 0.40
CAPN1 P07384 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL11901619 1.00 KMT2A (0.53) KMT2ACTSSCTSKCA1CA2
SCHEMBL6234092 1.00 KMT2A (0.53) KMT2ACTSSCTSKCA1CA2
SCHEMBL29918018 0.88 KMT2A (0.55) KMT2ACTSSCTSKCA1CA2
SCHEMBL10841914 0.87 KMT2A (0.53) KMT2ACTSSCTSKCA1CA2
SCHEMBL8536884 0.87 KMT2A (0.57) KMT2ACTSSCTSKCA1CA2
SCHEMBL8536880 0.87 KMT2A (0.57) KMT2ACTSSCTSKCA1CA2
SCHEMBL10760962 0.87 KMT2A (0.57) KMT2ACTSSCTSKCA1CA2
SCHEMBL28827213 0.87 KMT2A (0.53) KMT2ACTSSCTSKCA1CA2
SCHEMBL26419810 0.87 KMT2A (0.53) KMT2ACTSSCTSKCA1CA2
SCHEMBL31517881 0.86 KMT2A (0.56) KMT2ACTSSCTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073868-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-07-07 US disclosed
US-8785386-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-07-22 US disclosed
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US disclosed
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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 (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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 KMT2A 2513/4885CTSS 1128/4885CTSK 371/4885
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A KMT2A 593/4885CTSS 2049/4885CTSK 2472/4885
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A KMT2A 637/4885CTSS 2073/4885CTSK 2497/4885
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A KMT2A 637/4885CTSS 2073/4885CTSK 2497/4885

“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.