SCHEMBL1030745

SCHEMBL1030745

CCn1cc(C)c(-c2ccc(Cl)cc2)c1C(=O)N1CCN(C(=O)Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GPR183 P32249 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GFER P55789 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
CNR1 P21554 1/20 0.44
ALDH1A1 P00352 6/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HRH3 Q9Y5N1 2/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL1028097 0.86 SMN1; SMN2 (0.52) HSD11B1MEN1KMT2AGPR183SMN1; SMN2
SCHEMBL1031060 0.84 CYP2C9 (0.43) MEN1KMT2AGPR183CYP2C9CYP2C19
SCHEMBL1748810 0.81 SCN5A (0.46) MEN1KMT2ACNR1TP53
SCHEMBL15511503 0.79 ALDH1A1 (0.51) MEN1KMT2ACYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1032537 0.79 CNR2 (0.53) MEN1KMT2ASMN1; SMN2CNR1ALDH1A1
SCHEMBL1029907 0.78 PANK3 (0.41) MEN1KMT2AGPR183CYP2C9CYP2C19
SCHEMBL1031513 0.77 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2637730 0.76 GRIA2 (0.45) SMN1; SMN2KDM4ETP53
SCHEMBL1028290 0.76 ALDH1A1 (0.48) MEN1KMT2AGFERATMSMN1; SMN2
SCHEMBL1030188 0.75 P2RX7 (0.46) MEN1KMT2A

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 HSD11B1 2138/4885MEN1 4776/4885KMT2A 1507/4885

“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.