SCHEMBL10154259

SCHEMBL10154259

O=C(CC1CCCCC1)c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.54
METTL3 Q86U44 1/20 0.52
KDM2B Q8NHM5 1/20 0.51
TRPV1 Q8NER1 3/20 0.50
CFTR P13569 1/20 0.50
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
CCR1 P32246 4/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGDS O60760 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 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
SCHEMBL530208 0.81 TRPV1 (0.53) MGAMMETTL3KDM2BTRPV1CFTR
Hydrochloric Acid SCHEMBL530298 0.80 TRPV1 (0.52) MGAMMETTL3KDM2BTRPV1CFTR
SCHEMBL8021165 0.79 KMT2A (0.49) MGAMMETTL3KDM2BTRPV1CHRNB2
SCHEMBL10154201 0.79 KDM2B (0.63) MGAMMETTL3KDM2BTRPV1CFTR
SCHEMBL29171624 0.79 PTPN1 (0.54) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2906679 0.78 KDM4E (0.50) KDM2BCHRNB2CHRNA7CHRNA4MEN1
SCHEMBL11175090 0.76 KMT2A (0.65) MGAMKDM2BTRPV1CFTRCHRNB2
SCHEMBL531094 0.76 HPGDS (0.72) MGAMTRPV1NPC1KMT2AHPGDS
SCHEMBL529904 0.75 MGAM (0.65) MGAMCFTRNPC1ALDH1A1RAB9A
SCHEMBL8270577 0.75 MGAM (0.65) MGAMTRPV1CFTRCHRNB2CHRNA7

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 MGAM 4706/4885METTL3 4587/4885KDM2B 3590/4885

“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.