SCHEMBL10154201

SCHEMBL10154201

O=C(c1cnc2ccccc2c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.63
MGAM O43451 1/20 0.58
TRPV1 Q8NER1 3/20 0.50
HPGDS O60760 1/20 0.49
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CFTR P13569 1/20 0.47
PREP P48147 1/20 0.47
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL15190993 0.92 MGAM (0.63) KDM2BMGAMTRPV1HPGDSCHRNB2
SCHEMBL9635312 0.80 MGLL (0.58) KDM2BMGAMMEN1KMT2ADPP4
SCHEMBL531094 0.79 HPGDS (0.72) MGAMTRPV1HPGDSNPC1KMT2A
SCHEMBL10154259 0.79 MGAM (0.54) KDM2BMGAMTRPV1HPGDSCHRNB2
SCHEMBL29576973 0.78 KDM2B (1.00) KDM2B
SCHEMBL17919772 0.78 KDM2B (1.00) KDM2B
SCHEMBL10154196 0.78 KMT2A (0.49) KDM2BMGAMTRPV1HPGDSCHRNB2
SCHEMBL9011322 0.77 HDAC3 (0.57) KDM2BMGAMTRPV1HPGDSPREP
SCHEMBL4419572 0.76 GRM1 (0.51) KDM2B
SCHEMBL5480051 0.76 KDM2B (0.58) KDM2BMEN1ALDH1A1KMT2ADPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 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-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B KDM2B 3590/4885MGAM 4706/4885TRPV1 167/4885

“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.