SCHEMBL5754293

SCHEMBL5754293

N#Cc1cccc2c3c(ccc12)NCC3

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
NOTUM Q6P988 1/20 0.40
HTT P42858 1/20 0.37
KDM1A O60341 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
AR P10275 1/20 0.35
PARP1 P09874 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL326944 0.80 NOTUM (0.41) PNMTNOTUMHTTKDM1APARP1
Hydrochloric Acid SCHEMBL15311720 0.79 NOTUM (0.40) PNMTNOTUMHTTKDM1APARP1
SCHEMBL18403202 0.76 PNMT (0.53) PNMTNOTUMHTTPARP1
SCHEMBL28554649 0.73 NOTUM (0.43) PNMTNOTUMHTT
SCHEMBL9746966 0.73 PNMT (0.52) PNMTHTTCA1CA2AR
SCHEMBL29489124 0.73 CA1 (0.54) PNMTHTTCA1CA2AR
SCHEMBL45954 0.73 CA1 (0.54) PNMTHTTCA1CA2AR
SCHEMBL29269316 0.72 HPRT1 (0.50) NOTUMHTTPARP1SLC6A2NISCH
SCHEMBL13151125 0.70 NOTUM (0.61) NOTUMARPARP1
SCHEMBL20571510 0.70 KDM1A (0.41) PNMTNOTUMKDM1ANISCH

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 8 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

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 PNMT 240/4885NOTUM 1923/4885HTT 231/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D PNMT 709/4885NOTUM 3056/4885HTT 288/4885
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 PNMT 209/4885NOTUM 4695/4885HTT 239/4885

“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.