SCHEMBL737753

SCHEMBL737753

O=C1OC2(CCNCC2)CN1c1cccc(F)n1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.53
ADRA1A P35348 6/20 0.51
KCNH2 Q12809 6/20 0.51
ALOX5 P09917 2/20 0.41
GRM5 P41594 5/20 0.41

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
SCHEMBL3034959 0.82 NPY5R (0.54) NPY5RADRA1AKCNH2
SCHEMBL3034957 0.82 NPY5R (0.54) NPY5RADRA1AKCNH2
SCHEMBL3035637 0.81 NPY5R (0.55) NPY5RADRA1AKCNH2GRM5
SCHEMBL3741234 0.81 NPY5R (0.55) NPY5RADRA1AKCNH2GRM5
SCHEMBL3668430 0.80 NPY5R (0.54) NPY5RADRA1AKCNH2GRM5
SCHEMBL3668431 0.80 NPY5R (0.54) NPY5RADRA1AKCNH2GRM5
SCHEMBL738190 0.79 NPY5R (0.52) NPY5RADRA1AKCNH2GRM5
SCHEMBL3028742 0.79 NPY5R (0.53) NPY5RADRA1AKCNH2GRM5
Lithium Ion SCHEMBL3021432 0.78 NPY5R (0.52) NPY5RADRA1AKCNH2GRM5
SCHEMBL736419 0.77 GRM5 (0.52) NPY5RGRM5

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 NPY5R 385/4885ADRA1A 103/4885KCNH2 308/4885

“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.