SCHEMBL738043

SCHEMBL738043

COc1ccc(N2CC3(CCNCC3)OCC2=O)nc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.41
ROCK2 O75116 3/20 0.40
KCNJ1 P48048 1/20 0.36
OPRM1 P35372 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
OPRL1 P41146 1/20 0.33
DHFR P00374 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 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
SCHEMBL736460 0.83 TRPV4 (0.39) GRM5ROCK2KCNJ1OPRM1SIGMAR1
SCHEMBL735499 0.82 GRM5 (0.41) GRM5KCNJ1OPRM1SIGMAR1
SCHEMBL737418 0.82 SIGMAR1 (0.44) OPRM1SIGMAR1CYP3A4CYP2C19
SCHEMBL735671 0.80 CHRNB2 (0.46) OPRM1SIGMAR1
SCHEMBL736367 0.78 OPRM1 (0.40) ROCK2KCNJ1OPRM1SIGMAR1OPRL1
SCHEMBL16430239 0.78 KCNJ1 (0.55) KCNJ1
SCHEMBL736045 0.77 CHRNB2 (0.44) KCNJ1OPRM1SIGMAR1OPRL1
SCHEMBL738702 0.77 ALOX5 (0.44) GRM5ROCK2KCNJ1OPRM1SIGMAR1
SCHEMBL736593 0.77 ALDH1A1 (0.50) GRM5OPRM1SIGMAR1CYP3A4CYP2C19
SCHEMBL736127 0.77 ADRB1 (0.46) ROCK2OPRM1SIGMAR1

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 GRM5 263/4885ROCK2 3313/4885KCNJ1 595/4885

“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.