SCHEMBL1028656

SCHEMBL1028656

Cc1ccc(-c2c(C)cn(Cc3ccccc3)c2C(=O)N2CCN(CCN(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
KDM5B Q9UGL1 2/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNA5 P22460 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
MEN1 O00255 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.39
BRD4 O60885 1/20 0.39
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL1027171 0.89 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKDM5BKCNA5KMT2A
SCHEMBL1028655 0.86 KCNA5 (0.44) SMN1; SMN2LMNAOPRM1SIGMAR1KCNA5
SCHEMBL1031174 0.85 CNR2 (0.39) SMN1; SMN2LMNAKDM5BKCNA5CNR2
SCHEMBL1028958 0.83 SIGMAR1 (0.44) SMN1; SMN2LMNASIGMAR1KMT2AMEN1
SCHEMBL1028497 0.82 PRKAA2 (0.44) LMNAOPRM1SIGMAR1ALDH1A1KDM4E
SCHEMBL1028177 0.81 CNR2 (0.48) SMN1; SMN2LMNAKMT2AMEN1CNR2
SCHEMBL1029313 0.79 L3MBTL3 (0.46) SMN1; SMN2LMNAKMT2AMEN1CNR2
SCHEMBL1028097 0.77 SMN1; SMN2 (0.52) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL2637504 0.76 HPGD (0.47) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL1031812 0.76 HPGD (0.49) LMNACNR2ALDH1A1POLBKDM4E

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 SMN1; SMN2 2916/4885LMNA 2854/4885KDM5B 1627/4885

“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.