SCHEMBL2383940

SCHEMBL2383940

COC(=O)C(=CN(C)C)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
SLC6A3 Q01959 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32

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
SCHEMBL2383937 1.00 CES2 (0.39) CES2CES1SLC6A3RAB9ANPC1
SCHEMBL27721503 0.84 NPC1 (0.47) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL1339253 0.83 CYP1A2 (0.47) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL1339256 0.83 CYP1A2 (0.47) CES2CES1RAB9ANPC1SMN1; SMN2
SCHEMBL4767600 0.81 CES2 (0.43) CES2CES1SLC6A3RAB9AALDH1A1
SCHEMBL4767593 0.81 CES2 (0.43) CES2CES1SLC6A3RAB9AALDH1A1
SCHEMBL8009321 0.76 TSHR (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL13116686 0.76 TSHR (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17869401 0.75 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL17902694 0.75 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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-8012991-B2 3-(2,4-dimethoxyphenyl)-1,9-dimethyl-2-oxo-2,9-dihydro-1H-pyrido[2,3-b]indole-6-carboxylic acid; gamma-aminobutyric acid modulator; anticarcinogenic, antitumor, antiproliferative agent; amidating a 2-aminoindole with an alpha-substituted-beta-hydroxy-alkyl acrylate SANOFI-AVENTIS (FR) 2011-09-06 US disclosed
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics SANOFI-AVENTIS (FR) 2008-09-04 US disclosed
US-7390818-B2 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-06-24 US disclosed
US-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2005-12-29 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 (2 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-20050288318-A1 Pyridoindolone derivatives substituted in the 3-position by a phenyl, their preparation and their application in therapeutics PNPO, PDXK, PLPBP CES2 4147/4885CES1 2577/4885SLC6A3 1383/4885
US-20080214538-A1 Pyridoindolone Derivatives Substituted in the 3-Position by a Phenyl, Their Preparation and Their Application in Therapeutics PNPO, PLPBP, DPYD CES2 3908/4885CES1 2885/4885SLC6A3 1870/4885

“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.