SCHEMBL2957778

SCHEMBL2957778

CN1CCC[C@@H](CN2CCNCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.41
KCNH2 Q12809 3/20 0.41
CHRM3 P20309 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.41
OPRM1 P35372 2/20 0.41
DRD3 P35462 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ABCB11 O95342 1/20 0.41
CHRM4 P08173 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL151422 1.00 CHRM5 (0.41) CHRM5KCNH2CHRM3SIGMAR1CHRM2
SCHEMBL13202719 0.95 CXCR4 (0.44) CHRM5KCNH2CHRM3SIGMAR1CHRM2
SCHEMBL25074009 0.89 NCF1 (0.39) CHRM5CHRM3SIGMAR1CHRM2CHRM1
SCHEMBL18883293 0.89 NCF1 (0.39) CHRM5CHRM3SIGMAR1CHRM2CHRM1
SCHEMBL23570915 0.86 KCNH2 (0.35) CHRM5KCNH2CHRM3SIGMAR1CHRM2
SCHEMBL23874494 0.85 ACHE (0.40) CHRM5SIGMAR1ADRA2CACHERAD52
SCHEMBL30584855 0.84 CHRM5 (0.58) CHRM5KCNH2CHRM3SIGMAR1CHRM2
SCHEMBL12435217 0.84 CHRM5 (0.58) CHRM5KCNH2CHRM3SIGMAR1CHRM2
SCHEMBL19782068 0.84 POLB (0.38) CHRM5KCNH2CHRM3SIGMAR1ADRA2C
SCHEMBL21094260 0.84 RAD52 (0.38) CHRM5KCNH2SIGMAR1ADRA2CACHE

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-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
EP-1771425-B1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-05-14 EP disclosed
US-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-08-02 US disclosed
CN-101001847-A 2-Urea-4-phenylthiazole derivatives, preparation method and therapeutic use thereof SANOFI AVENTIS (FR) 2007-07-18 CN 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-20070179126-A1 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof UGT2B7, PKD2, CYP2C19 CHRM5 2441/4885KCNH2 1597/4885CHRM3 2469/4885

“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.