SCHEMBL3109908

SCHEMBL3109908

CCCCCc1sc(Br)nc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.43
GPR35 Q9HC97 6/20 0.41
COPS5 Q92905 2/20 0.41
HCAR3 P49019 1/20 0.40
RARB P10826 1/20 0.35
HAO1 Q9UJM8 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
SCHEMBL1034370 0.82 COPS5 (0.54) HCAR2COPS5HCAR3
SCHEMBL2485916 0.81 COPS5 (0.42) HCAR2COPS5
SCHEMBL1548680 0.80 COPS5 (0.40) HCAR2GPR35COPS5
SCHEMBL9642982 0.73 GPR35 (0.48) HCAR2GPR35HCAR3RARB
SCHEMBL13566362 0.70 ALDH1A1 (0.37) GPR35
SCHEMBL20504181 0.70 NPSR1 (0.43) HCAR2GPR35HCAR3
SCHEMBL11220231 0.70 KDM4E (0.40) HCAR2GPR35HCAR3RARB
SCHEMBL5701035 0.69 HCAR2 (0.44) HCAR2HCAR3RARBHAO1
SCHEMBL5217772 0.69 FBP1 (0.58) COPS5
SCHEMBL28939258 0.69 ALDH1A1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874030-B Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2012-11-14 CN disclosed
US-8288411-B2 Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
CN-101874030-A Pyrrolidines and piperidines as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2010-10-27 CN disclosed
US-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-05 US disclosed
EP-2207778-A2 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-07-21 EP disclosed
WO-2009040730-A2 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-04-02 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-20100197733-A1 PYRROLIDINES AND PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R HCAR2 55/4885GPR35 137/4885COPS5 1653/4885

“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.