SCHEMBL735107

SCHEMBL735107

O=C1OC2(CCNCC2)CN1c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 8/20 0.48
ADRA1A P35348 5/20 0.48
FADS1 O60427 1/20 0.45
HSD11B1 P28845 2/20 0.44
OPRM1 P35372 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
OPRL1 P41146 1/20 0.41
KCNH2 Q12809 5/20 0.41
GRM2 Q14416 1/20 0.40
USP2 O75604 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
SSTR5 P35346 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL11371356 0.84 HSD11B1 (0.51) NPY5RADRA1AHSD11B1OPRM1SIGMAR1
SCHEMBL736968 0.83 NPY5R (0.49) NPY5RADRA1AOPRM1SIGMAR1KCNH2
SCHEMBL737322 0.83 OPRM1 (0.58) NPY5RADRA1AHSD11B1OPRM1SIGMAR1
SCHEMBL736048 0.82 SIGMAR1 (0.46) FADS1OPRM1SIGMAR1OPRL1GRM2
SCHEMBL735414 0.82 ADRB1 (0.48) FADS1HSD11B1OPRM1SIGMAR1KCNH2
Bromide SCHEMBL3031379 0.82 OPRM1 (0.56) NPY5RADRA1AHSD11B1OPRM1SIGMAR1
SCHEMBL738187 0.80 NPY5R (0.40) NPY5RADRA1AOPRM1SIGMAR1KCNH2
SCHEMBL12065895 0.80 SSTR5 (0.40) NPY5RADRA1AOPRM1SIGMAR1KCNH2
SCHEMBL12065988 0.77 CDK4 (0.39) NPY5RADRA1AOPRM1SIGMAR1KCNH2
SCHEMBL3005438 0.77 SLC6A2 (0.48) OPRM1SIGMAR1SSTR5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (2 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 103/4885FADS1 4721/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 NPY5R 2775/4885ADRA1A 1688/4885FADS1 583/4885

“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.