SCHEMBL1749169

SCHEMBL1749169

CCOc1ccccc1N1CC[N]C(c2c(-c3ccc(Cl)cc3)c(C)cn2C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD4 P21917 5/20 0.37
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL1031460 0.72 SMN1; SMN2 (0.53) MAPTMEN1KMT2AHTTPOLB
SCHEMBL219349 0.64 ALDH1A1 (0.61) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1749368 0.64 HTR2C (0.40) MAPTMEN1HTTALDH1A1DRD2
SCHEMBL6031996 0.62 DRD2 (0.82) MAPTMEN1KMT2AHTTPOLB
Bromide SCHEMBL6030843 0.61 DRD4 (0.80) MAPTMEN1KMT2AHTTPOLB
SCHEMBL29732619 0.60 ALDH1A1 (0.59) MAPTHTTALDH1A1HSD17B10DRD4
SCHEMBL22728532 0.60 ALDH1A1 (0.59) MAPTHTTALDH1A1HSD17B10DRD4
SCHEMBL14543394 0.60 ALDH1A1 (0.68) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL23064593 0.60 ALDH1A1 (0.67) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL15481005 0.59 CACNB4 (0.43) MAPTMEN1KMT2AHTTPOLB

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 4 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 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 MAPT 1404/4885MEN1 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.