SCHEMBL5756003

SCHEMBL5756003

N#Cc1cccc2c1ccc1[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.46
IMPDH1 P20839 3/20 0.46
PNMT P11086 1/20 0.43
AHR P35869 1/20 0.40
MCL1 Q07820 1/20 0.39
DYRK1A Q13627 4/20 0.39
PRKCQ Q04759 4/20 0.38
PRKCD Q05655 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CYP19A1 P11511 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL403956 0.85 IMPDH2 (0.57) IMPDH2IMPDH1AHRMCL1DYRK1A
SCHEMBL30309353 0.85 IMPDH2 (0.57) IMPDH2IMPDH1AHRMCL1DYRK1A
SCHEMBL9746966 0.80 PNMT (0.52) IMPDH2IMPDH1PNMTMCL1DYRK1A
SCHEMBL1015590 0.76 MCL1 (0.58) PNMTMCL1CA1CA2
SCHEMBL29489124 0.76 CA1 (0.54) IMPDH2IMPDH1PNMTMCL1DYRK1A
SCHEMBL45954 0.76 CA1 (0.54) IMPDH2IMPDH1PNMTMCL1DYRK1A
SCHEMBL7096071 0.74 IMPDH2 (0.49) IMPDH2IMPDH1AHRPRKCQPRKCD
SCHEMBL4414444 0.72 IMPDH2 (0.44) IMPDH2IMPDH1AHRMCL1DYRK1A
SCHEMBL8186005 0.71 GRIN2D (0.43) IMPDH2IMPDH1MCL1
SCHEMBL9747698 0.71 MCL1 (0.43) PNMTMCL1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053108-B2 Indoline compounds LES LABORATOIRES SERVIER (FR) 2006-05-30 US disclosed
EP-1348704-B1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2006-05-17 EP disclosed
US-6998403-B2 Benzoindoline compounds LES LABORATOIRES SERVIER (FR) 2006-02-14 US disclosed
EP-1516871-A1 Benzoindoline derivatives with adrenergic activity Les Laboratoires Servier (FR) 2005-03-23 EP disclosed
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia LES LABORATOIRES SERVIER (FR) 2005-03-17 US disclosed
US-20040192736-A1 New indoline compounds LAVIELLE GILBERT (FR) 2004-09-30 US disclosed
US-6759421-B2 N-(3-PYRIDYL)-1,2-DIHYDRO-3H-BENZO(E)INDOLE-3-CARBOXAMIDE DERIVATIVES USEFUL AS A 5-HT2C ANTAGONIST LES LABORATOIRES SERVIER (FR) 2004-07-06 US disclosed
US-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2003-10-23 US disclosed
EP-1348704-A1 Indole derivatives as 5-HT2C antagonists, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-10-01 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 (3 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-20030199555-A1 Indoline compounds and to pharmaceutical compositions containing them TPH1, IDO1, HTR3A IMPDH2 369/4885IMPDH1 208/4885PNMT 240/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D IMPDH2 425/4885IMPDH1 232/4885PNMT 709/4885
US-20050059675-A1 Antidepressants; N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]-1,2-dihydro-3H-benzo[e]indole-3-carboxamide; antagonist of adrenergic receptor, serotonin receptor; anxiety, schizophrenia, Parkinson's disease, cognitive disorders, schizophrenia HTR2C, HTR2A, ADRA2C IMPDH2 1204/4885IMPDH1 1945/4885PNMT 209/4885

“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.