SCHEMBL1029313

SCHEMBL1029313

Cc1ccc(-c2c(C)cn(Cc3ccccc3)c2C(=O)N2CCC(N3CCCCC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.46
L3MBTL1 Q9Y468 8/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TP53BP1 Q12888 2/20 0.45
MBTD1 Q05BQ5 6/20 0.44
ACHE P22303 1/20 0.43
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 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
SCHEMBL1027632 0.80 L3MBTL3 (0.51) L3MBTL3L3MBTL1TP53BP1MBTD1
SCHEMBL1027171 0.79 SMN1; SMN2 (0.45) L3MBTL1CNR2KDM4EALDH1A1MEN1
SCHEMBL1028177 0.79 CNR2 (0.48) CNR2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1028656 0.79 SMN1; SMN2 (0.43) L3MBTL1CNR2KDM4EALDH1A1MEN1
SCHEMBL1029934 0.77 ALDH1A1 (0.56) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2637504 0.76 HPGD (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1031812 0.76 HPGD (0.49) CNR1CNR2KDM4EALDH1A1LMNA
SCHEMBL1031082 0.76 ALDH1A1 (0.44) CNR1CNR2ALDH1A1MEN1KMT2A
SCHEMBL1028097 0.75 SMN1; SMN2 (0.52) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1031616 0.75 GRM5 (0.47) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2

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 8 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
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 L3MBTL3 4668/4885L3MBTL1 4342/4885CNR1 13/4885

“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.