SCHEMBL3276549

SCHEMBL3276549

CCOC(=O)Cc1c(C(=O)OCC)[nH]c2ccc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
DRD3 P35462 2/20 0.59
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 7/20 0.52
MAPT P10636 5/20 0.52
HPGD P15428 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 2/20 0.50
GAA P10253 1/20 0.50
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
NQO2 P16083 1/20 0.48
HTR6 P50406 2/20 0.48

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
SCHEMBL7511884 0.90 DRD2 (0.61) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL8959676 0.88 DRD2 (0.62) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL27195463 0.87 ALDH1A1 (0.66) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL1191675 0.86 KDM4E (0.51) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL3958468 0.84 ALDH1A1 (0.71) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL29628777 0.84 ALDH1A1 (0.71) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL17674200 0.84 KDM4E (0.45) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL24375425 0.83 KMT2A (0.58) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL3283431 0.83 ALDH1A1 (0.69) DRD2DRD4DRD3KMT2AALDH1A1
SCHEMBL6953058 0.82 DRD2 (0.58) DRD2DRD4DRD3KMT2AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
CN-1089765-C 1H-pyrido [3,4-b] indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SANOFI SYNTHESIZING LAB (FR) 2002-08-28 CN disclosed
US-6075021-A 1H-pyrido[3,4-b]indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 2000-06-13 US disclosed
CN-1233248-A 1H-pyrido [3,4-b] indole-4-carboxamide derivatives, preparation and application thereof in therapeutics SYNTHELABO (FR) 1999-10-27 CN disclosed
US-5229413-A Nervous system disorders G. D. SEARLE & CO. (US) 1993-07-20 US disclosed
US-5137910-A Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders C.D. SEARLE & CO. (US) 1992-08-11 US disclosed
EP-0396124-A2 Compositions containing indole-2-carboxylate compounds for treatment of CNS disorders G.D. Searle & Co. (US) 1990-11-07 EP 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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 DRD2 1472/4885DRD4 1931/4885DRD3 1342/4885

“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.