SCHEMBL13825652

SCHEMBL13825652

COC(=O)CC(Cc1ccc(O)cc1)NC(=O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.51
MME P08473 5/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
MMEL1 Q495T6 1/20 0.48
OPRM1 P35372 2/20 0.47
GRIA1 P42261 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
RECQL P46063 1/20 0.45
GAA P10253 1/20 0.45
FFAR2 O15552 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13825641 1.00 TRPV1 (0.51) TRPV1MMEITGB3ITGA2BMMEL1
SCHEMBL13825720 0.95 ALDH1A1 (0.48) TRPV1MMEITGB3ITGA2BMMEL1
SCHEMBL13825640 0.94 MME (0.50) MMEITGB3ITGA2BMMEL1RECQL
SCHEMBL13825638 0.88 ALDH1A1 (0.50) MMEMMEL1GRIA1KDM4E
SCHEMBL12009663 0.86 TRPV1 (0.49) TRPV1ITGB3ITGA2BOPRM1GRIA1
SCHEMBL12009660 0.86 TRPV1 (0.49) TRPV1ITGB3ITGA2BOPRM1GRIA1
SCHEMBL12009638 0.85 HPGD (0.61) TRPV1MMEOPRM1GRIA1OPRD1
SCHEMBL12009633 0.85 HPGD (0.61) TRPV1MMEOPRM1GRIA1OPRD1
SCHEMBL12009650 0.83 PARP1 (0.55) TRPV1MMEITGB3ITGA2BOPRM1
SCHEMBL12009653 0.83 PARP1 (0.55) TRPV1MMEITGB3ITGA2BOPRM1

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-8309766-B2 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof Obschestvo S. Organichennoi Otvetstvennostiyu Pharmenterprises (RU) 2012-11-13 US disclosed
US-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof OBSCHESTVO S OGRANICHENNOI OTVETSTVENNOSTIYU PHARMENTERPRISES (RU) 2009-04-30 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-20090111874-A1 Phenyl-containing n-acyl amine and aminoacid derivatives, methods for the production thereof, a pharmaceutical composition and the use thereof PAH, MAOA, APEH TRPV1 2120/4885MME 634/4885ITGB3 4262/4885

“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.