SCHEMBL3672546

SCHEMBL3672546

COC(=O)c1cccc(N)c1NCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
GLA P06280 3/20 0.59
ALDH1A1 P00352 8/20 0.56
HSD17B10 Q99714 4/20 0.56
CFTR P13569 1/20 0.56
TSHR P16473 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3666677 0.91 ALDH1A1 (0.53) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL3669951 0.90 ALDH1A1 (0.51) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL23286982 0.87 ALDH1A1 (0.54) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL1467415 0.84 ALDH1A1 (0.51) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL28453644 0.83 ALDH1A1 (0.54) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL3671200 0.83 MMP2 (0.49) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL28451153 0.79 ALDH1A1 (0.57) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL1052977 0.79 ALDH1A1 (0.53) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL2085084 0.79 ALDH1A1 (0.65) KDM4EGLAALDH1A1HSD17B10CFTR
SCHEMBL3666211 0.78 POLB (0.46) KDM4EGLAALDH1A1HSD17B10TSHR

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
EP-2766344-B1 EP1 RECEPTOR LIGANDS ESTEVE LABOR DR (ES) 2017-05-03 EP disclosed
US-9518015-B2 EP1 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2016-12-13 US disclosed
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140323475-A1 EP1 RECEPTOR LIGANDS ESTEVE PHARMACEUTICALS, S.A. (ES) 2014-10-30 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
EP-2766344-A1 EP1 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2014-08-20 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
WO-2013037960-A1 EP1 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-03-21 WO disclosed
CN-101981031-A Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL 2011-02-23 CN disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 KDM4E 2435/4885GLA 3346/4885ALDH1A1 2741/4885
US-20140323475-A1 EP1 RECEPTOR LIGANDS PTGER1, PTGER2, PTGIR KDM4E 3864/4885GLA 2510/4885ALDH1A1 654/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 KDM4E 3544/4885GLA 2658/4885ALDH1A1 4352/4885

“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.