SCHEMBL2194076

SCHEMBL2194076

COc1ccc(NCCCC#N)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
ADRA1D P25100 4/20 0.40
ADRA1A P35348 4/20 0.40
ADRA1B P35368 4/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR1A P08908 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NSD2 O96028 1/20 0.38
CASP6 P55212 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9173967 0.82 GAA (0.50) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL12963726 0.79 GAA (0.51) GAAALDH1A1MAPTHTTADRA1D
SCHEMBL9988787 0.78 GAA (0.81) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL20512947 0.75 GAA (0.54) GAAALDH1A1MAPTHTTADRA1D
SCHEMBL10499067 0.75 HTT (0.39) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL17847346 0.74 GAA (0.50) GAAALDH1A1MAPTHTTADRA1D
SCHEMBL10624864 0.74 GAA (0.59) GAAALDH1A1MAPTHTTKMT2A
SCHEMBL13165681 0.74 GAA (0.53) GAAALDH1A1MAPTHTTADRA1D
SCHEMBL29153467 0.74 GAA (0.53) GAAALDH1A1MAPTHTTADRA1D
Hydrochloric Acid SCHEMBL14999773 0.74 GAA (0.53) GAAALDH1A1MAPTHTTADRA1D

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
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-20090023757-A1 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2009-01-22 US disclosed
US-20080312444-A1 Process for Preparing Bicyclic Compounds SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-12-18 US 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
EP-1874771-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB Pharmco Puerto Rico Inc. (PR) 2008-01-09 EP disclosed
EP-1869039-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB Pharmco Puerto Rico Inc. (PR) 2007-12-26 EP disclosed
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists NEUROCRINE BIOSCIENCES, INC. 2007-01-04 US disclosed
WO-2006108693-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB PHARMCO PUERTO RICO INC (US) 2006-10-19 WO disclosed
WO-2006108689-A2 PROCESS FOR PREPARING BICYCLIC COMPOUNDS SB PHARMCO PUERTO RICO INC (US) 2006-10-19 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-20110172255-A1 Condensed N-Heterocyclic Compounds and their Use as CRF Receptor Antagonists CRH, CRHR1, CRHR2 GAA 3259/4885ALDH1A1 3090/4885MAPT 2636/4885
US-20080312444-A1 Process for Preparing Bicyclic Compounds CRH, CRHR1, CRHR2 GAA 2663/4885ALDH1A1 1631/4885MAPT 3499/4885
US-20070004708-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR2, NR3C2, CRHR1 GAA 4779/4885ALDH1A1 4153/4885MAPT 4811/4885
US-20090023757-A1 PROCESS FOR PREPARING BICYCLIC COMPOUNDS CRH, CRHR1, CRHR2 GAA 2663/4885ALDH1A1 1631/4885MAPT 3499/4885

“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.