SCHEMBL738199

SCHEMBL738199

O=C1OC2(CCNCC2)CN1c1ccc(C(F)F)nc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 7/20 0.44
GRM5 P41594 5/20 0.37
NPY5R Q15761 4/20 0.36
KCNH2 Q12809 3/20 0.36
ADRA1A P35348 3/20 0.36
METAP2 P50579 1/20 0.36
SSTR5 P35346 2/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL736989 0.84 CDK4 (0.43) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL736268 0.81 CDK4 (0.45) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL736348 0.81 OPRL1 (0.44) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL12425874 0.79 CDK4 (0.47) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL736627 0.79 CHRNB2 (0.46) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL12425491 0.79 CDK4 (0.47) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL2303391 0.79 CDK4 (0.47) CDK4GRM5NPY5RKCNH2ADRA1A
SCHEMBL736968 0.77 NPY5R (0.49) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL2300558 0.74 CDK4 (0.45) CDK4GRM5
SCHEMBL736649 0.74 OPRM1 (0.42) CDK4GRM5NPY5RKCNH2ADRA1A

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 CDK4 1898/4885GRM5 263/4885NPY5R 385/4885

“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.