SCHEMBL12255644

SCHEMBL12255644

CC(C)N1CCCC(Cc2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
HRH3 Q9Y5N1 1/20 0.46
CHRNA7 P36544 3/20 0.46
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
GBA1 P04062 1/20 0.44
SPR P35270 1/20 0.42
MAP4K4 O95819 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL17896405 0.92 CHRM2 (0.49) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL12090436 0.83 CHRM2 (0.64) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL12255642 0.83 HRH3 (0.52) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL2603281 0.83 CARM1 (0.55) HRH3
SCHEMBL3978066 0.80 CHRNB2 (0.50) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL22049077 0.79 CHRM2 (0.72) CHRM2CHRM1CHRM3HRH3CHRNB2
SCHEMBL21214526 0.78 CHRM2 (0.44) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL2743291 0.77 CHRM2 (0.68) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL9534698 0.76 CHRNA7 (0.53) CHRM2CHRM1CHRM3HRH3CHRNA7
SCHEMBL31054426 0.76 CHRNA7 (0.53) CHRM2CHRM1CHRM3HRH3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367679-B2 Biaryl carboxamides MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 US disclosed
US-20110230498-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. 2011-09-22 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-20110230498-A1 BIARYL CARBOXAMIDES PAFAH1B3, PAFAH1B2, FAAH2 CHRM2 1680/4885CHRM1 1688/4885CHRM3 1048/4885

“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.