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.

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