SCHEMBL1031185

SCHEMBL1031185

COc1cc(OC)c(CN2CCN(C(=O)c3c(-c4ccc(C)cc4)c(C)cn3C)CC2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
BRD4 O60885 1/20 0.38
BRD9 Q9H8M2 1/20 0.38

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
SCHEMBL1033818 0.86 ALDH1A1 (0.44) MEN1KMT2ADRD3KDM4EALDH1A1
SCHEMBL1029931 0.79 GPR183 (0.56) DRD3KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL1029932 0.78 GFER (0.53) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL1027503 0.76 MTNR1B (0.55) MEN1KMT2AKCNK3KCNK9DRD3
SCHEMBL1031500 0.75 KMT2A (0.54) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1030983 0.75 NPC1 (0.52) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL27857935 0.71 ALDH1A1 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1028085 0.70 CNR2 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1030117 0.70 TSHR (0.57) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL1030954 0.69 ALDH1A1 (0.48) KDM4EALDH1A1SMN1; SMN2POLB

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 7 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
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 MEN1 4776/4885KMT2A 1507/4885KCNK3 1439/4885

“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.