SCHEMBL1031069

SCHEMBL1031069

CCn1cc(C)c(-c2ccc(Cl)cc2)c1C(=O)NCc1c(OC)cccc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.43
EZH2 Q15910 3/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
TACR1 P25103 1/20 0.38
ROCK2 O75116 2/20 0.37
MAPT P10636 2/20 0.37
ROCK1 Q13464 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
KMT2A Q03164 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL1028545 0.88 ROCK2 (0.48) PDE10ATSHRRECQLTACR1ROCK2
SCHEMBL1028249 0.84 PDE10A (0.38) PDE10AEZH2TSHRRECQLROCK2
SCHEMBL1031754 0.78 KDM4E (0.52) TSHRRECQLMAPTTDP1KMT2A
SCHEMBL1748908 0.76 GCGR (0.43)
SCHEMBL1032074 0.74 RAB9A (0.39) MAPTTDP1KMT2ATP53
SCHEMBL2637730 0.73 GRIA2 (0.45) MAPTTP53
SCHEMBL1031856 0.73 BCL2 (0.35) MAPTTP53
SCHEMBL1030487 0.73 ROCK2 (0.43) PDE10ATSHRROCK2MAPTROCK1
SCHEMBL1031726 0.72 KDM4E (0.49) MAPTKMT2A
SCHEMBL1031786 0.71 PPARG (0.47) PDE10ATSHRMAPTTP53

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 5 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
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

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 PDE10A 1892/4885EZH2 1791/4885TSHR 521/4885

“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.