SCHEMBL8021165

SCHEMBL8021165

COC(=O)/C=C(/CC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TRPV1 Q8NER1 4/20 0.47
METTL3 Q86U44 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
CCR1 P32246 4/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
HPGDS O60760 3/20 0.43
MGAM O43451 1/20 0.43
KDM2B Q8NHM5 1/20 0.43

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
SCHEMBL2906912 0.90 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EMETTL3CHRNB2
SCHEMBL2906910 0.90 KMT2A (0.50) KMT2ASMN1; SMN2KDM4EMETTL3CHRNB2
SCHEMBL2902476 0.83 KDM4E (0.46) KMT2ASMN1; SMN2KDM4ECHRNB2CHRNA7
SCHEMBL2901762 0.83 KDM4E (0.46) KMT2ASMN1; SMN2KDM4ECHRNB2CHRNA7
SCHEMBL2901764 0.83 KDM4E (0.46) KMT2ASMN1; SMN2KDM4ECHRNB2CHRNA7
SCHEMBL10154196 0.81 KMT2A (0.49) KMT2ASMN1; SMN2KDM4ETRPV1CHRNB2
SCHEMBL10154259 0.79 MGAM (0.54) KMT2ASMN1; SMN2TRPV1METTL3CHRNB2
SCHEMBL13096310 0.75 KDM4E (0.58) KMT2ASMN1; SMN2KDM4EMEN1NPC1
SCHEMBL4238969 0.74 FAAH (0.48) KMT2AMETTL3CHRNB2CHRNA7CHRNA4
SCHEMBL2905047 0.73 KDM4E (0.48) KMT2AKDM4ECHRNB2CHRNA7CHRNA4

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-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
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO 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 KMT2A 3633/4885SMN1; SMN2 1988/4885KDM4E 3297/4885

“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.