SCHEMBL1032679

SCHEMBL1032679

Cc1ccc(-c2c(C)cn(Cc3c(Cl)cccc3Cl)c2C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.44
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR2C P28335 1/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.38
SLC22A12 Q96S37 2/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 1/20 0.37
MGLL Q99685 1/20 0.37
ACHE P22303 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL1032678 0.85 RORC (0.43) RORCALDH1A1HTR2CCNR2SLC22A12
SCHEMBL1031082 0.81 ALDH1A1 (0.44) ALDH1A1CNR2CNR1MEN1KMT2A
SCHEMBL2637992 0.81 SLC22A12 (0.46) RORCALDH1A1KDM4EHPGDNPSR1
SCHEMBL1028085 0.77 CNR2 (0.43) ALDH1A1CNR2MEN1KMT2AMAPT
SCHEMBL1029313 0.74 L3MBTL3 (0.46) ALDH1A1KDM4ECNR2CNR1MEN1
SCHEMBL1031812 0.73 HPGD (0.49) ALDH1A1KDM4EHPGDNPSR1CNR2
SCHEMBL1031841 0.73 NPSR1 (0.47) ALDH1A1NPSR1MEN1KMT2ATSHR
SCHEMBL1029934 0.72 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMGLLACHE
SCHEMBL1028177 0.72 CNR2 (0.48) ALDH1A1NPSR1CNR2MEN1KMT2A
SCHEMBL1029020 0.72 KDM4E (0.39) ALDH1A1KDM4EHPGDNPSR1CNR2

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 10 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
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 RORC 1477/4885ALDH1A1 2168/4885KDM4E 829/4885

“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.