SCHEMBL737403

SCHEMBL737403

[CH2]CCCN1C2CCCC1CCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL737581 0.98 CHRM2 (0.34) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL738374 0.91 ALDH1A1 (0.36) ALDH1A1
SCHEMBL2099507 0.90 HRH3 (0.37) CHRM2CHRM4CHRM5CHRM1HRH3
SCHEMBL736054 0.84 CHRM2 (0.33) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL736528 0.82 CHRM2 (0.37) CHRM2CHRM4CHRM5CHRM1ALDH1A1
SCHEMBL736330 0.80 SLC6A3 (0.31) CHRM1HRH3
SCHEMBL738115 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2880405 0.75 ALDH1A1 (0.42) CHRM1ALDH1A1
SCHEMBL19480457 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL2101411 0.73 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 US disclosed
EP-1892241-A1 NOVEL PIPERIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-02-27 EP 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 CHRM2 10/4885CHRM4 16/4885CHRM5 38/4885

“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.