SCHEMBL1033134

SCHEMBL1033134

Cc1cn(C)c(C(=O)NCc2ccc(F)cc2C(F)(F)F)c1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.43
EPHX2 P34913 5/20 0.42
PPARG P37231 2/20 0.42
NTRK1 P04629 1/20 0.41
SCD5 Q86SK9 1/20 0.40
ALOX5 P09917 1/20 0.39
CYP2C8 P10632 1/20 0.38
CYP2B6 P20813 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL1032390 0.85 P2RX7 (0.42) P2RX7EPHX2PPARGNTRK1SCD5
SCHEMBL1030468 0.85 P2RX7 (0.48) P2RX7EPHX2PPARGNTRK1ALOX5
SCHEMBL1033084 0.73 KLKB1 (0.43) SMN1; SMN2
SCHEMBL1031580 0.73 ALDH1A1 (0.55) SMN1; SMN2
SCHEMBL1032676 0.72 ADORA3 (0.49) SMN1; SMN2
SCHEMBL1032230 0.72 ADORA3 (0.55) SMN1; SMN2
SCHEMBL1031918 0.72 ALDH1A1 (0.47) SMN1; SMN2
SCHEMBL1030582 0.71 MEN1 (0.47) EPHX2PPARGSMN1; SMN2
SCHEMBL1031357 0.71 P2RX7 (0.46) P2RX7EPHX2PPARGNTRK1
SCHEMBL1033551 0.70 EPHX2 (0.46) P2RX7EPHX2PPARG

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.