SCHEMBL1027398

SCHEMBL1027398

Cc1cn(Cc2ccc(F)cc2)c(C(=O)NC2CCCCC2)c1-c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.54
CNR1 P21554 15/20 0.54
FAAH O00519 5/20 0.54
ABHD12 Q8N2K0 2/20 0.52
ABHD6 Q9BV23 1/20 0.51
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1031514 0.85 CNR2 (0.47) CNR2CNR1FAAHABHD12ABHD6
SCHEMBL1032468 0.81 CCR3 (0.53)
SCHEMBL1749648 0.81 ALDH1A1 (0.43) KDM4EALDH1A1
SCHEMBL1033885 0.79 HTT (0.45) KDM4EALDH1A1
SCHEMBL1031744 0.79 NPC1 (0.49) CNR2KDM4EALDH1A1
SCHEMBL1031434 0.79 CD274 (0.48) CNR2ALDH1A1
SCHEMBL1032062 0.77 SMN1; SMN2 (0.46) CNR2KDM4EALDH1A1
SCHEMBL1031730 0.77 CNR1 (0.45) CNR2CNR1KDM4EALDH1A1CYP3A4
SCHEMBL1031988 0.76 CNR1 (0.44) CNR2CNR1KDM4EALDH1A1CYP3A4
SCHEMBL1027036 0.73 KMT2A (0.41) KDM4EALDH1A1

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 CNR2 19/4885CNR1 13/4885FAAH 320/4885

“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.