SCHEMBL1029795

SCHEMBL1029795

Cc1cn(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 4/20 0.41
BLM P54132 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRM5 P41594 1/20 0.41
NAMPT P43490 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 4/20 0.41
ALOX15 P16050 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 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
SCHEMBL1031849 0.77 ALDH1A1 (0.49) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL1032266 0.75 KDM4E (0.55) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL1032278 0.73 MAPT (0.52) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL1030274 0.71 POLB (0.46) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL1032301 0.70 ALDH1A1 (0.47) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL1029495 0.69 AVPR1A (0.48) ALDH1A1MAPTHTTCYP1A2CYP3A4
SCHEMBL1027475 0.69 NPC1 (0.44) KDM4EMEN1KMT2ABLMPOLB
SCHEMBL20141541 0.69 MTOR (0.48) KDM4EALDH1A1MAPTHPGDHTT
SCHEMBL20141464 0.69 MTOR (0.56) KDM4EALDH1A1MEN1MAPTHPGD
SCHEMBL1031412 0.68 TACR3 (0.51) MAPTGRM5NAMPTL3MBTL1MTOR

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
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
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
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 KDM4E 829/4885ALDH1A1 2168/4885MEN1 4776/4885

“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.