SCHEMBL5356701

SCHEMBL5356701

O=C(NCC1CCNCC1O)c1cc(Cl)cc2c1OCCCO2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.43
CHRM3 P20309 5/20 0.43
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
DRD2 P14416 2/20 0.38
CHRM5 P08912 1/20 0.37

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
SCHEMBL13349307 1.00 CHRM1 (0.43) CHRM1CHRM3CHRM2CHRM4DRD2
SCHEMBL5356706 1.00 CHRM1 (0.43) CHRM1CHRM3CHRM2CHRM4DRD2
SCHEMBL13315495 0.88 CCNT1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13404426 0.88 CCNT1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13385037 0.88 CCNT1 (0.35) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13349394 0.88 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13603525 0.88 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13404424 0.88 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13385036 0.88 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL13315492 0.88 CHRM1 (0.37) CHRM1CHRM3CHRM2CHRM4CHRM5

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-7205410-B2 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2007-04-17 US disclosed
EP-1140915-B1 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES FOR TREATING GASTROINTESTINAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2005-06-15 EP disclosed
US-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders BOSMANS JEAN-PAUL RENE MARIE A (BE) 2003-09-25 US disclosed
US-6544997-B1 E.g., hypermotility, irritable bowel syndrome, bowel hypersensitivity and the reduction of pain associated with gastrointestinal hypersensitivity and/or hyperactivity JANSSEN PHARMACEUTICA, N.V. (BE) 2003-04-08 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-20030181456-A1 4-(aminomethyl)-piperidine benzamides for treating gastrointestinal disorders HRH2, ALK, CBR1 CHRM1 216/4885CHRM3 267/4885CHRM2 314/4885

“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.