SCHEMBL4136261

SCHEMBL4136261

Clc1cccc(-c2ccccc2COC2CCNC2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.53
CHRM3 P20309 7/20 0.53
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44

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
SCHEMBL4136254 1.00 CHRM1 (0.53) CHRM1CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4131991 0.86 SLC6A2 (0.50) CHRM1CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4131984 0.86 SLC6A2 (0.50) CHRM1CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4144918 0.86 SLC6A2 (0.47) CHRM1CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4144913 0.86 SLC6A2 (0.47) CHRM1CHRM3SLC6A2SLC6A4SLC6A3
SCHEMBL4124163 0.86 CHRNB2 (0.56) CHRM3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4124168 0.86 CHRNB2 (0.56) CHRM3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4138856 0.85 SLC6A2 (0.47) CHRM1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4131943 0.85 SLC6A2 (0.47) CHRM3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4137148 0.85 SLC6A2 (0.51) CHRM1CHRM3SLC6A2SLC6A4SLC6A3

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-20090215857-A1 Therapeutic Pyrrolidines PFIZER PRODUCTS INC. (US) 2009-08-27 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-20090215857-A1 Therapeutic Pyrrolidines OPRL1, HTR5A, OPRD1 CHRM1 264/4885CHRM3 1033/4885SLC6A2 28/4885

“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.