SCHEMBL1030468

SCHEMBL1030468

Cc1cn(C)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.48
EPHX2 P34913 6/20 0.46
PPARG P37231 3/20 0.46
NTRK1 P04629 2/20 0.46
ALOX5 P09917 1/20 0.41

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
SCHEMBL1033134 0.85 P2RX7 (0.43) P2RX7EPHX2PPARGNTRK1ALOX5
SCHEMBL1031357 0.83 P2RX7 (0.46) P2RX7EPHX2PPARGNTRK1
SCHEMBL1032170 0.80 RIPK1 (0.47)
SCHEMBL1033551 0.79 EPHX2 (0.46) P2RX7EPHX2PPARG
SCHEMBL1029323 0.74 MAPK14 (0.57) PPARG
SCHEMBL2735924 0.73 MAP2 (0.56) P2RX7EPHX2PPARGNTRK1
SCHEMBL6355022 0.72 EPHX2 (0.53) P2RX7EPHX2PPARGNTRK1
SCHEMBL1032781 0.72 MMP13 (0.54)
SCHEMBL1032390 0.71 P2RX7 (0.42) P2RX7EPHX2PPARGNTRK1
SCHEMBL1031804 0.71 ALDH1A1 (0.42)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 P2RX7 56/4885EPHX2 1222/4885PPARG 2867/4885

“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.