SCHEMBL5753987

SCHEMBL5753987

COc1ccc2c3c(ccc2c1)NCC3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP1A2 P05177 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSP90AA1 P07900 1/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
NISCH Q9Y2I1 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR7 P34969 1/20 0.43
POLB P06746 2/20 0.42
CYP2A6 P11509 1/20 0.42
PSMD14 O00487 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL25786097 0.76 MAPT (0.49) ALDH1A1CYP1A2HPGDHSD17B10TP53
SCHEMBL4507840 0.73 ALDH1A1 (0.45) ALDH1A1CYP1A2HPGDHSD17B10TP53
SCHEMBL27902298 0.73 CYP2A6 (0.65) ALDH1A1CYP1A2HSD17B10SMN1; SMN2MAPT
SCHEMBL565913 0.73 DRD2 (0.53) ALDH1A1HTR2BHTR2AHTR2C
SCHEMBL11698216 0.72 PDE3B (0.49) ALDH1A1HSD17B10SMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL2208192 0.71 DRD2 (0.52) ALDH1A1HTR2BHTR2AHTR2C
Hydrochloric Acid SCHEMBL2208190 0.71 DRD2 (0.52) ALDH1A1HTR2BHTR2AHTR2C
SCHEMBL3137389 0.71 CYP2A6 (0.62) ALDH1A1CYP1A2HSD17B10SMN1; SMN2MAPT
SCHEMBL12259995 0.71 CYP2A6 (0.62) ALDH1A1CYP1A2HSD17B10SMN1; SMN2MAPT
SCHEMBL12277498 0.71 CYP2A6 (0.62) ALDH1A1CYP1A2HSD17B10SMN1; SMN2MAPT

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 ALDH1A1 977/4885CYP1A2 72/4885HPGD 774/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D ALDH1A1 643/4885CYP1A2 75/4885HPGD 1513/4885
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 ALDH1A1 755/4885CYP1A2 217/4885HPGD 1007/4885

“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.