SCHEMBL1027420

SCHEMBL1027420

Cc1cn(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC6A7 Q99884 1/20 0.58
MAPK1 P28482 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
USP2 O75604 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
ALOX15 P16050 2/20 0.47
MAPT P10636 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL1029932 0.78 GFER (0.53) MEN1KMT2AMAPK1L3MBTL1GAA
SCHEMBL1031507 0.76 AKR1C3 (0.56) MEN1KMT2ASLC6A7SMN1; SMN2GAA
SCHEMBL1029076 0.75 TSHR (0.55) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL1029495 0.74 AVPR1A (0.48) USP2L3MBTL1TSHRHTTMAPT
SCHEMBL15253618 0.72 L3MBTL1 (0.61) MEN1KMT2ASLC6A7MAPK1SMN1; SMN2
SCHEMBL1030117 0.72 TSHR (0.57) MEN1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL1029493 0.71 HTT (0.52) KMT2ASMN1; SMN2LMNAHTTMAPT
SCHEMBL1081579 0.71 GRIA4 (0.47) MEN1KMT2ASMN1; SMN2LMNAKDM4E
SCHEMBL1030673 0.71 ALDH1A1 (0.56) KMT2AMAPK1SMN1; SMN2L3MBTL1GAA
SCHEMBL1028177 0.70 CNR2 (0.48) MEN1KMT2ASLC6A7SMN1; SMN2USP2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 CN 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
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 disclosed
CN-101500994-A 1,3-disubstituted 4-methyl-1h-pyrrole-2-carboxamides and their use for the manufacture of medicaments GRUENENTHAL CHEMIE (DE) 2009-08-05 CN 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 MEN1 4776/4885KMT2A 1507/4885SLC6A7 360/4885

“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.