SCHEMBL583348

SCHEMBL583348

NCC(=O)NC([C]=O)Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.75
MMP2 P08253 2/20 0.53
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
MME P08473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
CYP1A2 P05177 1/20 0.42
AOC3 Q16853 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL13858664 1.00 CTSC (0.75) CTSCMMP2NPC1RAB9AALPI
SCHEMBL583349 1.00 CTSC (0.75) CTSCMMP2NPC1RAB9AALPI
SCHEMBL11863638 0.90 CTSC (0.62) CTSCMMP2NPC1RAB9AAOC3
SCHEMBL11863650 0.90 CTSC (0.62) CTSCMMP2NPC1RAB9AAOC3
SCHEMBL27899225 0.86 CTSC (0.56) CTSCSLC7A5
SCHEMBL27698308 0.84 CTSC (0.54) CTSCNPC1RAB9AMMEALDH1A1
SCHEMBL9871281 0.84 ALDH1A1 (0.60) CTSCNPC1RAB9AMMEALDH1A1
SCHEMBL4093741 0.84 CTSC (0.55) CTSCPKMHTTSMN1; SMN2CYP1A2
SCHEMBL2911850 0.83 CTSC (0.53) CTSCNPC1RAB9AALPIPKM
SCHEMBL2911851 0.83 CTSC (0.53) CTSCNPC1RAB9AALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669229-B2 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-11 US claimed
CN-103342680-A Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD 2013-10-09 CN claimed
EP-2170831-B1 Benzazepine derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 2012-02-15 EP claimed
US-20110071084-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-03-24 US claimed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP claimed
CN-101687805-A Benzazepine  derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD 2010-03-31 CN claimed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO claimed
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP claimed
US-5055451-A Prevent tissue damage SYNTEX INC. (US) 1991-10-08 US claimed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP claimed
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-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-23 US disclosed
EP-2170831-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS Otsuka Pharmaceutical Co., Ltd. (JP) 2010-04-07 EP disclosed
CN-101687805-A Benzazepine  derivatives useful as vasopressin antagonists OTSUKA PHARMA CO LTD 2010-03-31 CN disclosed
WO-2009001968-A1 BENZAZEPINE DERIVATIVES USEFUL AS VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-12-31 WO disclosed
CN-1008092-B PROCESS FOR PREPARATION OF ENKEPHALINASE INHIBITORS SQUIBB & SONS INC (US) 1990-05-23 CN disclosed
CN-85101902-A Enkephalinase inhibitor 1987-01-17 CN 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 CTSC 863/4885MMP2 2501/4885NPC1 1845/4885
US-20140024619-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A CTSC 874/4885MMP2 2485/4885NPC1 1847/4885
US-20140024640-A1 Benzazepine Derivatives Useful as Vasopressin Antagonists AVPR2, AVPR1B, AVPR1A CTSC 874/4885MMP2 2485/4885NPC1 1847/4885

“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.