SCHEMBL738190

SCHEMBL738190

O=C1OC2(CCNCC2)CN1c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.52
KCNH2 Q12809 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP1A2 P05177 1/20 0.52
GRM5 P41594 5/20 0.51
ADRA1A P35348 2/20 0.50
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL13079376 0.86 GRM5 (0.62) NPY5RKCNH2CYP1A2GRM5ADRA1A
SCHEMBL736593 0.82 ALDH1A1 (0.50) NPY5RKCNH2ALDH1A1HPGDHSD17B10
SCHEMBL3747541 0.81 NPY5R (0.63) NPY5RKCNH2GRM5ADRA1A
SCHEMBL3747544 0.81 NPY5R (0.63) NPY5RKCNH2GRM5ADRA1A
SCHEMBL737427 0.81 GRM5 (0.48) NPY5RKCNH2GRM5ADRA1A
SCHEMBL3740534 0.80 GRM5 (0.50) NPY5RKCNH2CYP1A2GRM5ADRA1A
SCHEMBL3747754 0.80 NPY5R (0.56) NPY5RKCNH2GRM5ADRA1A
SCHEMBL14094863 0.80 GRM5 (0.50) NPY5RKCNH2CYP1A2GRM5ADRA1A
SCHEMBL3741402 0.80 GRM5 (0.50) NPY5RKCNH2CYP1A2GRM5ADRA1A
SCHEMBL3740531 0.80 GRM5 (0.50) NPY5RKCNH2CYP1A2GRM5ADRA1A

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 385/4885KCNH2 308/4885ALDH1A1 1242/4885

“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.