SCHEMBL738702

SCHEMBL738702

COc1cccc(N2CC3(CCNCC3)OCC2=O)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
SIGMAR1 Q99720 4/20 0.36
OPRM1 P35372 2/20 0.36
KCNJ1 P48048 1/20 0.35
BTK Q06187 1/20 0.34
IDH1 O75874 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK2 O75116 1/20 0.34
BACE1 P56817 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL736253 0.81 SIGMAR1 (0.39) ALOX5SIGMAR1OPRM1KCNJ1ROCK2
SCHEMBL736460 0.81 TRPV4 (0.39) SIGMAR1OPRM1KCNJ1ROCK2GRM5
SCHEMBL738043 0.77 GRM5 (0.41) SIGMAR1OPRM1KCNJ1ROCK2GRM5
SCHEMBL736045 0.77 CHRNB2 (0.44) SIGMAR1OPRM1KCNJ1KCNH2
SCHEMBL736593 0.77 ALDH1A1 (0.50) ALOX5SIGMAR1OPRM1BTKCRBN
SCHEMBL736127 0.77 ADRB1 (0.46) ALOX5SIGMAR1OPRM1ROCK2KCNH2
SCHEMBL737418 0.75 SIGMAR1 (0.44) SIGMAR1OPRM1
SCHEMBL737195 0.75 SIGMAR1 (0.44) SIGMAR1OPRM1
SCHEMBL737924 0.74 OPRM1 (0.45) SIGMAR1OPRM1KCNJ1BACE1SLC6A2
SCHEMBL736372 0.74 SIGMAR1 (0.37) SIGMAR1OPRM1DDB1CRBNKCNH2

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 ALOX5 4539/4885SIGMAR1 11/4885OPRM1 15/4885

“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.