SCHEMBL13850002

SCHEMBL13850002

CN1C2CCCCC1CC(Nc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
HRH1 P35367 2/20 0.59
SIGMAR1 Q99720 2/20 0.59
HTR3E A5X5Y0 2/20 0.59
HTR3B O95264 2/20 0.59
CHRNB2 P17787 2/20 0.59
CHRNA3 P32297 2/20 0.59
CHRNA4 P43681 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3D Q70Z44 2/20 0.59
HTR3C Q8WXA8 2/20 0.59
CHRNB4 P30926 1/20 0.59
CHRNA7 P36544 1/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SLC6A2 P23975 3/20 0.46
CHRM1 P11229 3/20 0.46
SLC6A4 P31645 2/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45

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
SCHEMBL2145704 0.97 CHRNA3 (0.63) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL7464902 0.93 CHRM4 (0.54) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL12925024 0.87 CHRM4 (0.47) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6893103 0.81 HTR3E (0.54) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6886547 0.81 HTR3E (0.54) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6890085 0.79 HTR3A (0.51) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6887019 0.79 HTR3A (0.51) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6889232 0.79 HTR3E (0.58) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL6886381 0.79 HTR3E (0.58) CHRM4CHRM5HRH1SIGMAR1HTR3E
SCHEMBL18065832 0.78 HTR3E (0.43) CHRM4CHRM5HRH1SIGMAR1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 US disclosed
US-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-05-07 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-20090118326-A1 Nicotinic Acetylcholine Receptor Modulators CHRNA10, CHRNA6, CHRNA5 CHRM4 22/4885CHRM5 14/4885HRH1 1189/4885

“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.