SCHEMBL13274935

SCHEMBL13274935

O=C(O)N1CCC(COc2cnc(-c3cccc(Cl)c3)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ AVPR1B P47901 1/20 0.42
▸ MET P08581 1/20 0.42
▸ NQO2 P16083 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM5 P41594 4/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ FASN P49327 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CHRM3 P20309 1/20 0.39

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
SCHEMBL2351366 0.86 GPR119 (0.54) SMN1; SMN2
SCHEMBL16697161 0.84 MET (0.44) F2METNQO2PDE4D
SCHEMBL2223511 0.84 MET (0.52) HRH3AVPR1BMETNQO2CHRM3
SCHEMBL2351356 0.82 CYP4F2 (0.49) HRH3F2AVPR1BMETNQO2
SCHEMBL2221443 0.80 CYP4F2 (0.44) —
SCHEMBL4259566 0.77 CHRNA3 (0.53) —
SCHEMBL20893497 0.76 GPR119 (0.43) METNQO2
SCHEMBL20893496 0.75 GPR119 (0.38) METNQO2
SCHEMBL23344107 0.75 MET (0.54) HRH3METNQO2
SCHEMBL15155542 0.75 DGAT1 (0.50) HRH3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 — — 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 HRH3 2576/4885F2 4863/4885CNR1 3725/4885

“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.

Send feedback