SCHEMBL736968

SCHEMBL736968

O=C1OC2(CCNCC2)CN1c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.49
KCNH2 Q12809 3/20 0.49
ADRA1A P35348 3/20 0.47
SSTR5 P35346 12/20 0.44
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TRPV4 Q9HBA0 2/20 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
SCHEMBL669637 0.85 OPRM1 (0.43) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL737144 0.85 OPRM1 (0.43) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL11372471 0.85 HSD11B1 (0.45) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL23459280 0.85 OPRM1 (0.43) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL737322 0.85 OPRM1 (0.58) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL13078701 0.85 NPY5R (0.46) NPY5RKCNH2ADRA1ASSTR5OPRM1
Hydrochloric Acid SCHEMBL670765 0.84 OPRM1 (0.42) NPY5RKCNH2ADRA1ASSTR5OPRM1
Bromide SCHEMBL3031379 0.84 OPRM1 (0.56) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL735107 0.83 NPY5R (0.48) NPY5RKCNH2ADRA1ASSTR5OPRM1
SCHEMBL10146464 0.83 KCNH2 (0.50) NPY5RKCNH2ADRA1ASSTR5OPRM1

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 385/4885KCNH2 308/4885ADRA1A 103/4885
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 NPY5R 2775/4885KCNH2 519/4885ADRA1A 1688/4885

“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.