SCHEMBL1031867

SCHEMBL1031867

COc1ccc(CN2CCN(C(=O)c3c(-c4ccco4)c(C)cn3Cc3ccccc3)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 1/20 0.45
ALOX12 P18054 1/20 0.45
CACNA1F O60840 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43

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
SCHEMBL1032039 0.95 KDM4E (0.49) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1030163 0.83 FAAH (0.49) ALDH1A1KDM4E
SCHEMBL1749331 0.81 MEN1 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1030235 0.79 MEN1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1032158 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1030158 0.78 KMT2A (0.47) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1027735 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL1030195 0.78 KMT2A (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1031652 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL1030813 0.75 TSHR (0.46) ALDH1A1MEN1KMT2ALMNATSHR

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 ALDH1A1 2168/4885KDM4E 829/4885MEN1 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.