SCHEMBL1031856

SCHEMBL1031856

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.35
MLYCD O95822 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
MAPT P10636 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
DRD2 P14416 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
FPR2 P25090 1/20 0.33
BRD4 O60885 5/20 0.33
BRD2 P25440 3/20 0.33
BRD3 Q15059 3/20 0.33
BRDT Q58F21 3/20 0.33
CREBBP Q92793 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HDAC3 O15379 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL1748908 0.85 GCGR (0.43) BCL2GCGR
SCHEMBL1030036 0.78 HSP90AA1 (0.38) MAPTFPR2
SCHEMBL1031726 0.74 KDM4E (0.49) MAPT
SCHEMBL5628818 0.73 CYP1A2 (0.54) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2637730 0.73 GRIA2 (0.45) TP53MDM2MAPT
SCHEMBL1031754 0.72 KDM4E (0.52) MAPT
SCHEMBL1031910 0.71 NPC1 (0.59)
SCHEMBL1031707 0.70 POLB (0.46) BCL2TP53MDM2MAPT
SCHEMBL1030744 0.69 POLB (0.47) BCL2TP53MAPT
SCHEMBL1031848 0.67 RAB9A (0.53) BCL2MAPT

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
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

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 BCL2 2474/4885MLYCD 4321/4885TP53 4881/4885

“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.