SCHEMBL6709157

SCHEMBL6709157

Cn1c(C(=O)Nc2ccc(C#N)cc2-c2nnn[nH]2)cc2cccc(OC3CCC3)c21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 19/20 0.38
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35

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
SCHEMBL6711750 0.90 KDM1A (0.39) GPR6KDM1AMAOA
SCHEMBL6713781 0.89 KDM1A (0.38) KDM1AMAOA
SCHEMBL6708834 0.89 NPSR1 (0.35) KDM1AMAOA
SCHEMBL6710365 0.88 KDM1A (0.39) GPR6KDM1AMAOA
SCHEMBL6710156 0.88 KDM1A (0.38) GPR6KDM1AMAOA
SCHEMBL6709167 0.86 SCN2A (0.36)
SCHEMBL6708736 0.85 GPR6 (0.39) GPR6
SCHEMBL6708936 0.85 KDM1A (0.34) GPR6KDM1AMAOA
SCHEMBL6708943 0.85 MAPT (0.36) KDM1AMAOA
SCHEMBL6710104 0.84 TRPA1 (0.33)

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
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US disclosed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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 (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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 GPR6 2607/4885KDM1A 620/4885MAOA 1075/4885

“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.