SCHEMBL4807933

SCHEMBL4807933

C(#CC1CCCC1)c1ccccn1

nearest known ligand 0.96

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.96
CYP1A2 P05177 7/20 0.96
KCNH2 Q12809 2/20 0.42

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
SCHEMBL31673207 0.78 GRM5 (0.62) GRM5CYP1A2KCNH2
SCHEMBL4862529 0.78 GRM5 (0.62) GRM5CYP1A2KCNH2
SCHEMBL31673286 0.75 GRM5 (0.58) GRM5CYP1A2KCNH2
SCHEMBL352291 0.75 GRM5 (0.65) GRM5CYP1A2KCNH2
SCHEMBL29168747 0.74 GRM5 (0.56) GRM5CYP1A2KCNH2
SCHEMBL7419205 0.72 GRM5 (0.54) GRM5CYP1A2KCNH2
SCHEMBL4864111 0.71 GRM5 (0.58) GRM5CYP1A2KCNH2
SCHEMBL4080 0.71 GRM5 (0.54) GRM5CYP1A2KCNH2
SCHEMBL4927688 0.71 GRM5 (0.55) GRM5CYP1A2KCNH2
Methyl Alcohol SCHEMBL28902013 0.71 GRM5 (0.67) GRM5CYP1A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
US-7642352-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed
US-20060287376-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US disclosed
EP-1727796-A2 PALLADIUM CATALYZED INDOLIZATION OF 2-BROMO OR CHLOROANILINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-06 EP disclosed
US-7126009-B2 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-10-24 US disclosed
WO-2005090302-A2 PALLADIUM CATALYZED INDOLIZATION OF 2-BROMO OR CHLOROANILINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-29 WO disclosed
US-20050209465-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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-20050209465-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines IDO1, IDO2, TDO2 GRM5 1922/4885CYP1A2 58/4885KCNH2 998/4885
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES DCLK2, DCLK1, TTL GRM5 476/4885CYP1A2 1913/4885KCNH2 836/4885
US-20060287376-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines IDO1, IDO2, DRD3 GRM5 2083/4885CYP1A2 102/4885KCNH2 633/4885

“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.