SCHEMBL735954

SCHEMBL735954

O=C1COC2(CCNCC2)CN1c1ccc(F)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
OPRM1 P35372 3/20 0.40
ROCK2 O75116 6/20 0.32
GRM5 P41594 1/20 0.32
CDK4 P11802 4/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
OPRL1 P41146 1/20 0.31
SSTR5 P35346 3/20 0.31

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
SCHEMBL736328 0.85 SIGMAR1 (0.40) SIGMAR1OPRM1GRM5CDK4CHRNB2
SCHEMBL736972 0.85 OPRL1 (0.43) SIGMAR1OPRM1OPRL1SSTR5
SCHEMBL736873 0.83 SIGMAR1 (0.47) SIGMAR1OPRM1ROCK2
SCHEMBL736989 0.82 CDK4 (0.43) SIGMAR1OPRM1GRM5CDK4SSTR5
SCHEMBL736045 0.82 CHRNB2 (0.44) SIGMAR1OPRM1CHRNB2CHRNA4OPRL1
SCHEMBL736974 0.82 SIGMAR1 (0.38) SIGMAR1OPRM1GRM5CDK4OPRL1
SCHEMBL4941184 0.82 SIGMAR1 (0.36) SIGMAR1OPRM1ROCK2CHRNB2CHRNA4
SCHEMBL738549 0.82 SIGMAR1 (0.40) SIGMAR1OPRM1ROCK2
SCHEMBL737008 0.81 SIGMAR1 (0.42) SIGMAR1OPRM1SSTR5
SCHEMBL735827 0.80 SIGMAR1 (0.42) SIGMAR1OPRM1ROCK2

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 SIGMAR1 11/4885OPRM1 15/4885ROCK2 3313/4885

“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.