SCHEMBL7999700

SCHEMBL7999700

CNC(Cc1ccc(N)cc1)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SOAT1 P35610 1/20 0.41
MME P08473 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADRB2 P07550 4/20 0.39
ITGB1 P05556 2/20 0.39
ITGA5 P08648 2/20 0.39
EPHX1 P07099 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PAM P19021 1/20 0.38
RAD52 P43351 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
SLC7A5 Q01650 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
SCHEMBL15315079 1.00 CA2 (0.43) CA2NPC1RAB9ASOAT1MME
SCHEMBL24286177 0.89 CA2 (0.43) CA2NPC1RAB9ASOAT1MME
SCHEMBL30404207 0.86 CA2 (0.52) CA2NPC1RAB9ASOAT1MME
SCHEMBL1093901 0.86 CA2 (0.52) CA2NPC1RAB9ASOAT1MME
SCHEMBL1093903 0.86 CA2 (0.52) CA2NPC1RAB9ASOAT1MME
SCHEMBL19679999 0.84 ACACB (0.50) NPC1RAB9AALDH1A1TSHREPHX1
SCHEMBL14898395 0.84 ACACB (0.50) NPC1RAB9AALDH1A1TSHREPHX1
SCHEMBL8231892 0.84 ESR1 (0.56) MMEESR1ESR2SLC7A5
SCHEMBL7637685 0.84 ESR1 (0.56) MMEESR1ESR2SLC7A5
SCHEMBL16327905 0.84 ESR1 (0.40) CA2MMEALDH1A1EPHX1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340575-B2 Agonists and antagonists of the urotensinergic system INSTITUT NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CA) 2016-05-17 US disclosed
US-8809278-B2 Cyclic tetrapeptides UNIVERSITY OF KANSAS (US) 2014-08-19 US disclosed
US-8809278-B2 Cyclic tetrapeptides UNIVERSITY OF KANSAS (US) 2014-08-19 US disclosed
EP-2376520-B1 INSULIN ANALOGS UNIV INDIANA RES & TECH CORP (US) 2014-02-12 EP disclosed
US-8481485-B2 Insulin analogs INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-07-09 US disclosed
US-8481485-B2 Insulin analogs INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-07-09 US disclosed
US-20120264693-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF ZEALAND PHARMA A/S (DK) 2012-10-18 US disclosed
US-20110257091-A1 INSULIN ANALOGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2011-10-20 US disclosed
US-20110257091-A1 INSULIN ANALOGS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2011-10-20 US disclosed
US-20110190212-A1 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2011-08-04 US disclosed
US-20110190212-A1 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2011-08-04 US disclosed
US-20100298225-A1 PEPTIDE GAP JUNCTION MODULATORS ZEALAND PHARMA A/S (DK) 2010-11-25 US disclosed
WO-2010006267-A2 CYCLIC TETRAPEPTIDES UNIVERSITY OF KANSAS (US) 2010-01-14 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-20100298225-A1 PEPTIDE GAP JUNCTION MODULATORS GJA1, GJB2, GAP43 CA2 3292/4885NPC1 1499/4885RAB9A 743/4885
US-20120264693-A1 COMPOUNDS ACTING AS PEPTIDE GAP JUNCTION MODULATORS, AND USES THEREOF GJA1, GJB2, GAP43 CA2 3238/4885NPC1 1004/4885RAB9A 570/4885
US-20110257091-A1 INSULIN ANALOGS IAPP, GPR119, INSR CA2 4727/4885NPC1 4151/4885RAB9A 2205/4885
US-20110190212-A1 CYCLIC TETRAPEPTIDES OPRK1, OPRL1, OPRD1 CA2 4583/4885NPC1 3584/4885RAB9A 3747/4885

“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.