SCHEMBL1031680

SCHEMBL1031680

COc1ccc(-c2c(C)cn(C)c2C(=O)NC2CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.48
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
DHODH Q02127 1/20 0.45
PDE10A Q9Y233 4/20 0.44
TAS1R2 Q8TE23 1/20 0.44
PDE2A O00408 1/20 0.44
ROCK2 O75116 1/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL1031145 0.85 ALDH1A1 (0.48) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL1027476 0.79 ALDH1A1 (0.47) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13917047 0.72 MLLT3 (0.65) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL1031582 0.71 LMNA (0.51) ALDH1A1MEN1KMT2A
SCHEMBL5969956 0.70 KMT2A (0.87) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL22729721 0.69 PDE2A (0.51) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL5969897 0.69 TAS1R3 (0.64) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5923976 0.68 PDE4A (0.83) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2064346 0.68 PDE4A (0.83) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL2064349 0.68 PDE4A (0.83) HPGDSPDE4APDE4BPDE4CPDE4D

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 HPGDS 913/4885PDE4A 2434/4885PDE4B 2862/4885

“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.