SCHEMBL12201779

SCHEMBL12201779

CC(=O)CNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
SLC15A1 P46059 1/20 0.54
CTSC P53634 1/20 0.54
MMP2 P08253 1/20 0.54
LTA4H P09960 1/20 0.51
ANPEP P15144 1/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
OPRD1 P41143 5/20 0.51
OPRM1 P35372 4/20 0.51
OPRK1 P41145 1/20 0.51
ACE P12821 1/20 0.50

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
SCHEMBL14416298 0.91 CYP1A2 (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1329815 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6047673 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1329817 0.88 MME (0.62) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL8692954 0.87 MME (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8789703 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8788898 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL14963151 0.87 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL8692950 0.87 MME (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5594394 0.86 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed
EP-3647319-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed
WO-2019001459-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME 凯惠科技发展(上海)有限公司 2019-01-03 WO disclosed
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
EP-2374798-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
EP-2374798-A1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-12 EP disclosed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 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 (3 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-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS AVPR2, AVPR1B, AVPR1A ALPI 4717/4885PKM 2225/4885PTGS1 861/4885
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A ALPI 4718/4885PKM 2097/4885PTGS1 819/4885
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A ALPI 4718/4885PKM 2097/4885PTGS1 819/4885

“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.