SCHEMBL2637247

SCHEMBL2637247

COc1ccc(-c2c(C)cn(Cc3ccc(F)cc3)c2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MET P08581 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
NTSR1 P30989 1/20 0.42
HTT P42858 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL2638193 0.91 NPC1 (0.46) CHRM1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2637904 0.88 CNR1 (0.44) CNR1CNR2MAPTKMT2AMEN1
SCHEMBL15497073 0.87 PTGDR2 (0.45) CNR2SMN1; SMN2KMT2APOLBGAA
SCHEMBL4109233 0.84 SMN1; SMN2 (0.45) CHRM1CNR1CNR2FAAHSMN1; SMN2
SCHEMBL1031104 0.82 CNR1 (0.43) CNR1CNR2FAAHSMN1; SMN2KDM4E
SCHEMBL1030734 0.82 CNR1 (0.45) CNR1CNR2FAAHKDM4EALDH1A1
SCHEMBL1030435 0.81 S1PR1 (0.43) CNR1CNR2MAPTLMNATP53
SCHEMBL3988267 0.80 NPC1 (0.45) SMN1; SMN2KDM4EALDH1A1MAPTKMT2A
SCHEMBL1031481 0.80 THRB (0.53) CNR1CNR2FAAHSMN1; SMN2MAPT
SCHEMBL1026834 0.79 KMT2A (0.40) CNR1CNR2FAAHKDM4EALDH1A1

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 8 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
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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP claimed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 WO 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
EP-2035375-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2009-03-18 EP disclosed
WO-2007141039-A1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-13 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 CHRM1 374/4885CNR1 13/4885CNR2 19/4885

“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.