SCHEMBL12564458

SCHEMBL12564458

c1ccc(CN2C3CCC2[C@H]2CCC3N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 1/20 0.41
CCR3 P51677 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRL1 P41146 1/20 0.38

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
SCHEMBL2045784 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL12564459 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL1987752 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL10500589 0.78 CHRM2 (0.52) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL13772148 0.78 ALDH1A1 (0.53) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL4048126 0.78 ALDH1A1 (0.53) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL11913658 0.76 ALDH1A1 (0.52) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL12830800 0.76 CHRM2 (0.59) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL13813857 0.74 CHRM2 (0.49) CHRM2CHRM4CHRM5SIGMAR1ACHE
SCHEMBL1993494 0.73 CHRM2 (0.47) CHRM2CHRM4CHRM5SIGMAR1ACHE

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-20110152238-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C. A.R.L. (IT) 2011-06-23 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-20110152238-A1 PHARMACEUTICAL COMPOUNDS OPRD1, OPRK1, OPRM1 CHRM2 40/4885CHRM4 36/4885CHRM5 85/4885

“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.