SCHEMBL10154200

SCHEMBL10154200

COC(=O)CC(c1cnc2ccccc2c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5AP P20292 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGB5 P18084 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX5 P09917 4/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE4D Q08499 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HPGDS O60760 2/20 0.40

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
SCHEMBL10154199 0.89 SLC6A2 (0.47) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL12892122 0.82 ITGB3 (0.45) NPC1RAB9AALDH1A1ITGB3ITGAV
SCHEMBL7451882 0.80 KDM4E (0.51) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL27797853 0.79 KMT2A (0.58) SMN1; SMN2KMT2ARAB9AMEN1KDM4E
SCHEMBL13344628 0.77 KDM4E (0.49) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL5041314 0.77 KDM4E (0.49) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL10154213 0.76 P2RX7 (0.36) SMN1; SMN2KMT2ANPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL6506600 0.76 KDM4E (0.48) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL3184201 0.74 TRPV1 (0.48) TRPV1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL530515 0.73 RAB9A (0.47) TRPV1SMN1; SMN2KMT2ANPC1RAB9A

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 TRPV1 167/4885SMN1; SMN2 1988/4885KMT2A 3633/4885

“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.