SCHEMBL6473683

SCHEMBL6473683

COc1ccc2c(Cl)c(N)cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA6 Q16445 2/20 0.44
ACHE P22303 1/20 0.43
HTR1A P08908 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
SRC P12931 1/20 0.43
FERMT2 Q96AC1 1/20 0.43
GABRA2 P47869 1/20 0.42
EGFR P00533 2/20 0.41
MPO P05164 1/20 0.40
PDGFRB P09619 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
SCHEMBL5746994 0.87 KDM4E (0.46) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL20480283 0.83 SRC (0.47) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL24010126 0.82 GABRA1 (0.45) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL29392911 0.81 GABRA1 (0.44) HPGDSGABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5767708 0.81 ALDH1A1 (0.50) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL20495237 0.81 GABRA1 (0.44) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL440277 0.81 ACHE (0.50) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL2209879 0.81 TRPA1 (0.47) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL23896032 0.81 GABRA1 (0.44) HPGDSGABRA1GABRG2GABRB3GABRA5
SCHEMBL5930108 0.78 KDM4E (0.53) HPGDSPRNPTSHRMAPK1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035780-A Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain MERCK SHARP & DOHME (GB) 2007-09-12 CN disclosed
US-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain HOLLINGWORTH GREGORY J (GB) 2005-09-08 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 (1 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-20050197342-A1 Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain OPRL1, OPRK1, CNR1 HPGDS 870/4885GABRA1 188/4885GABRG2 417/4885

“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.