SCHEMBL786039

SCHEMBL786039

CN(C(=O)O)C1CCN(c2ccnc(C#N)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.42
F10 P00742 6/20 0.41
CHRM1 P11229 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CHRM4 P08173 1/20 0.41
F2 P00734 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
USP30 Q70CQ3 3/20 0.39
UCHL1 P09936 1/20 0.39
OPRD1 P41143 1/20 0.36
NOTUM Q6P988 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36

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
SCHEMBL803607 0.85 GPR119 (0.45) NPY5RF10CHRM1JAK2JAK1
SCHEMBL785159 0.78 F10 (0.51) NPY5RF10
SCHEMBL27629490 0.77 NPY5R (0.46) NPY5RCHRM4
SCHEMBL17687604 0.76 PANK3 (0.51) JAK2JAK1JAK3
SCHEMBL24126674 0.75 CHRM1 (0.41) CHRM1JAK2JAK1JAK3CHRM4
SCHEMBL784943 0.75 HRH4 (0.51) SUV39H2
SCHEMBL30629376 0.75 USP30 (0.46) CHRM1CHRM4USP30SUV39H2
SCHEMBL27902682 0.73 CHRM1 (0.45) CHRM1CHRM4USP30SUV39H2
SCHEMBL27197955 0.73 ACHE (0.42) USP30UCHL1
SCHEMBL27197957 0.73 ACHE (0.42) USP30UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 NPY5R 54/4885F10 524/4885CHRM1 117/4885

“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.