SCHEMBL3690810

SCHEMBL3690810

CCN(CCc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ FPR2 P25090 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ LPAR1 Q92633 1/20 0.41
▸ LDHA P00338 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ IL2 P60568 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB7 P26010 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ ITGB3 P05106 2/20 0.38
▸ ITGAV P06756 2/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA5 P08648 1/20 0.38

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
SCHEMBL1309259 1.00 KMT2A (0.45) KMT2AFPR2CA2LPAR1LDHA
SCHEMBL1308263 0.93 GAA (0.39) KMT2ALDHAPPARGKLKB1
SCHEMBL2318816 0.93 GAA (0.39) KMT2ALDHAPPARGKLKB1
SCHEMBL1308268 0.84 HPGD (0.36) KMT2A
SCHEMBL1310695 0.82 KMT2A (0.49) KMT2AFPR2CA2LDHAALB
SCHEMBL1310698 0.82 KMT2A (0.49) KMT2AFPR2CA2LDHAALB
SCHEMBL3685242 0.81 KMT2A (0.67) KMT2AFPR2CA2LDHAITGB3
SCHEMBL1307925 0.81 KMT2A (0.67) KMT2AFPR2CA2LDHAITGB3
SCHEMBL3683361 0.80 MC4R (0.41) —
SCHEMBL1308271 0.79 PPARA (0.36) KMT2ALPAR1PPARGITGB3

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
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 — — EP disclosed
US-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2012-11-29 — — US disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — 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-20120301458-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 KMT2A 4671/4885FPR2 113/4885CA2 1273/4885

“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.

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