SCHEMBL3110046

SCHEMBL3110046

CCCCCc1nc(C(=O)O)c(CCCCC)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.40
HCAR3 P49019 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
COPS5 Q92905 2/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
GPR35 Q9HC97 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
SCHEMBL20504181 0.83 NPSR1 (0.43) HCAR2HCAR3KDM4EALDH1A1NPSR1
SCHEMBL3109908 0.83 HCAR2 (0.43) HCAR2HCAR3COPS5GPR35
SCHEMBL1034370 0.82 COPS5 (0.54) HCAR2HCAR3ALDH1A1COPS5
SCHEMBL9643790 0.73 GPR35 (0.41) HCAR2HCAR3KDM4EALDH1A1NPSR1
SCHEMBL20503252 0.73 ALDH1A1 (0.47) KDM4EALDH1A1NPSR1CYP2C9SMN1; SMN2
SCHEMBL11308300 0.73 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1CYP2C9TP53
SCHEMBL22774382 0.73 L3MBTL1 (0.40) HCAR2ALDH1A1COPS5
SCHEMBL20503273 0.72 GPR35 (0.47) KDM4EALDH1A1NPSR1CYP2C9SMN1; SMN2
SCHEMBL9643970 0.72 GPR35 (0.43) HCAR2KDM4EALDH1A1NPSR1GPR35
SCHEMBL28331464 0.72 ALDH1A1 (0.50) KDM4EALDH1A1TP53MAPTSMN1; SMN2

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 55/4885HCAR3 71/4885KDM4E 1763/4885

“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.