SCHEMBL5451965

SCHEMBL5451965

NC(=O)COC(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.52
CYP2C19 P33261 2/20 0.52
BRD4 O60885 1/20 0.49
SLC18A3 Q16572 1/20 0.49
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
POLB P06746 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL4002382 0.84 CHRM4 (0.58) CHRM4SMN1; SMN2CYP2C19BRD4SLC18A3
SCHEMBL5460480 0.82 FAAH (0.55) CHRM4SMN1; SMN2BRD4SLC18A3ALDH1A1
SCHEMBL5447949 0.81 DRD2 (0.51) CHRM4ALDH1A1RAB9AL3MBTL1HTT
SCHEMBL4035554 0.81 SMN1; SMN2 (0.72) CHRM4SMN1; SMN2CYP2C19ALDH1A1RAB9A
SCHEMBL21159622 0.79 BRD4 (0.61) CHRM4SMN1; SMN2BRD4SLC18A3ALDH1A1
SCHEMBL5490962 0.78 KCNH2 (0.56) SMN1; SMN2SLC18A3ALDH1A1RAB9ANPC1
SCHEMBL8922008 0.78 CHRM4 (0.59) CHRM4SMN1; SMN2BRD4SLC18A3ALDH1A1
SCHEMBL28171449 0.77 KCNH2 (0.52) CHRM4SMN1; SMN2SLC18A3ALDH1A1RAB9A
SCHEMBL31073550 0.77 KCNH2 (0.56) CHRM4SMN1; SMN2CYP2C19BRD4SLC18A3
Hydrochloric Acid SCHEMBL6195871 0.77 KCNH2 (0.55) SMN1; SMN2SLC18A3ALDH1A1RAB9ANPC1

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-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS SANOFI-AVENTIS (FR) 2007-01-25 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-20070021405-A1 ARYL- AND HETEROARYLPIPERIDINECARBOXYLATE-DERIVATIVES METHODS FOR THEIR PREPARATION AND USE THEREOF AS FATTY ACID AMIDO HYDROLASE ENZYME INHIBITORS FAAH, FAAH2, HRH2 CHRM4 1457/4885SMN1; SMN2 1268/4885CYP2C19 222/4885

“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.