SCHEMBL1027503

SCHEMBL1027503

COc1ccc(F)c(CN2CCN(C(=O)c3c(-c4ccc(Cl)cc4)c(C)cn3C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.55
KCNK3 O14649 2/20 0.46
KCNK9 Q9NPC2 2/20 0.46
NPC1 O15118 1/20 0.43
PTGS2 P35354 1/20 0.43
DRD2 P14416 2/20 0.43
KCNA5 P22460 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.42
WNK1 Q9H4A3 1/20 0.42
TACR2 P21452 1/20 0.42
TACR1 P25103 1/20 0.42
TACR3 P29371 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1031185 0.76 MEN1 (0.42) KCNK3KCNK9NPC1DRD3ALDH1A1
SCHEMBL1030117 0.75 TSHR (0.57) NPC1ALDH1A1MEN1KMT2A
SCHEMBL1029931 0.72 GPR183 (0.56) DRD2DRD3ALDH1A1
SCHEMBL1030983 0.72 NPC1 (0.52) NPC1ALDH1A1MEN1KMT2A
SCHEMBL1029493 0.71 HTT (0.52) KCNK3KCNK9ALDH1A1KMT2A
SCHEMBL1029932 0.71 GFER (0.53) ALDH1A1MEN1KMT2A
SCHEMBL1031500 0.71 KMT2A (0.54) ALDH1A1MEN1KMT2A
SCHEMBL1029495 0.70 AVPR1A (0.48) NPC1ALDH1A1TACR2TACR1TACR3
SCHEMBL1031774 0.70 MAPT (0.49) NPC1ALDH1A1TACR2TACR1TACR3
SCHEMBL1031507 0.69 AKR1C3 (0.56) ALDH1A1MEN1KMT2A

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 MTNR1B 15/4885KCNK3 1439/4885KCNK9 2268/4885

“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.