SCHEMBL2191827

SCHEMBL2191827

COc1ccc(N2CCCC2=O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.57
TP53 P04637 2/20 0.53
HSD17B10 Q99714 2/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
KDM4E B2RXH2 2/20 0.49
SRD5A1 P18405 1/20 0.49
AKR1C3 P42330 1/20 0.48
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 2/20 0.46
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44

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
SCHEMBL8136809 0.84 TP53 (0.52) CRHR1TP53HSD17B10KDM4ESRD5A1
SCHEMBL2192949 0.82 KDM4E (0.72) CRHR1HSD17B10HTR3EHTR3BHTR3A
SCHEMBL11119022 0.82 HTT (0.55) TP53HSD17B10KDM4ESMN1; SMN2HTT
SCHEMBL2760313 0.81 HSD17B10 (0.57) TP53HSD17B10KDM4EAKR1C3HTT
SCHEMBL24685888 0.81 TP53 (0.52) TP53HSD17B10KDM4EHTTHIF1A
SCHEMBL1922766 0.80 TP53 (0.49) CRHR1TP53HSD17B10KDM4EHTT
SCHEMBL3866085 0.80 HSD17B10 (0.59) TP53HSD17B10KDM4EAKR1C3SMN1; SMN2
SCHEMBL30168124 0.80 HSD17B10 (0.59) TP53HSD17B10KDM4EAKR1C3SMN1; SMN2
SCHEMBL12070446 0.80 HSD17B10 (0.55) CRHR1TP53HSD17B10KDM4EAKR1C3
SCHEMBL22430527 0.80 CYP11B1 (0.48) CRHR1TP53HSD17B10KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US claimed
US-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists SB PHARMCO PUERTO RICO INC 2011-07-14 US disclosed
EP-1611133-B1 CONDENSED N-HETEROCYCLIC COMPOUND AND USE THEREOFF AS CRF RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORK LTD (IE) 2010-07-07 EP disclosed
EP-2186813-A1 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SmithKline Beecham (Cork) Limited (IE) 2010-05-19 EP disclosed
US-7427630-B2 Condensed N-heterocyclic compounds and their use as CRF receptor antagonists SB PHARMACO PUERTO RICO INC. (US) 2008-09-23 US disclosed
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-03-22 US disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP disclosed
EP-1583531-A1 HETEROARYL- SUBSTITUTED PYRROLO' 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB Pharmco Puerto Rico Inc (US) 2005-10-12 EP disclosed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 WO disclosed
WO-2004062665-A1 HETEROARYL- SUBSTITUTED PYRROLO` 2, 3- B! PYRIDINE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-07-29 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 (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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 CRHR1 2/4885TP53 4696/4885HSD17B10 2148/4885
US-20070066640-A1 Heteroaryl-substituted pyrrolo'2,3-b1 pyridine derivatives as crf receptor antagonists CRHR1, CRHR2, CRH CRHR1 1/4885TP53 4604/4885HSD17B10 1777/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 CRHR1 3/4885TP53 4782/4885HSD17B10 906/4885

“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.