SCHEMBL2637653

SCHEMBL2637653

Cc1cn(CC(C)C)c(C(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
ICMT O60725 3/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 3/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
KMT2A Q03164 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
FFAR1 O14842 1/20 0.35
MDM2 Q00987 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL2637730 0.86 GRIA2 (0.45) GRIA2GRIA4MAPTTP53MDM2
SCHEMBL2637458 0.82 NOTUM (0.43) GRIA2GRIA4MAPTTP53KMT2A
SCHEMBL4108837 0.82 MAPT (0.36) ICMTMAPTTP53PDE4APDE4B
SCHEMBL1032566 0.80 AURKA (0.47) MAPTTP53KMT2ANPC1RAB9A
SCHEMBL1027640 0.79 GAA (0.35) MAPTKMT2APOLB
SCHEMBL1028290 0.79 ALDH1A1 (0.48) MAPTTP53KMT2ARAB9ASMN1; SMN2
SCHEMBL2637715 0.78 GRIA2 (0.45) GRIA2GRIA4MAPTTP53PDE4D
SCHEMBL1029785 0.78 LMNA (0.51) MAPTTP53KMT2AKDM4ESMN1; SMN2
SCHEMBL1031707 0.77 POLB (0.46) MAPTTP53KMT2AMDM2KDM4E
SCHEMBL2637860 0.76 PPARG (0.39) GRIA2GRIA4MAPTKMT2AKDM4E

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 9 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
CN-101500994-B 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL GMBH 2012-12-12 CN disclosed
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 GRIA2 246/4885GRIA4 197/4885ICMT 3622/4885

“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.