SCHEMBL5753017

SCHEMBL5753017

COc1ccc2c(c1)CCC(N)C2=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.55
CYP27A1 Q02318 3/20 0.55
CYP26A1 O43174 3/20 0.55
CYP19A1 P11511 1/20 0.55
DRD2 P14416 3/20 0.53
DRD3 P35462 1/20 0.53
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
METAP1 P53582 3/20 0.49

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
Hydrochloric Acid SCHEMBL1813880 0.98 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL13363970 0.88 ACHE (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL6630846 0.88 ACHE (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
Hydrochloric Acid SCHEMBL8870977 0.86 ACHE (0.55) CYP24A1CYP26A1CYP19A1DRD2DRD3
SCHEMBL13039619 0.84 DRD2 (0.60) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL630841 0.83 ACHE (0.58) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL7271049 0.83 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL2440274 0.81 CYP24A1 (0.56) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL22867686 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2
SCHEMBL3587277 0.81 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-H753-H RIGIDIZED OXAZOLE DYES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1990-03-06 US claimed
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
US-6117910-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0799189-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-17 EP disclosed
EP-0799189-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
WO-1996018602-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO disclosed
US-H753-H RIGIDIZED OXAZOLE DYES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1990-03-06 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 CYP24A1 1625/4885CYP27A1 2027/4885CYP26A1 887/4885
US-20040192736-A1 New indoline compounds TPH1, HTR3A, HTR1D CYP24A1 2402/4885CYP27A1 2476/4885CYP26A1 1219/4885
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 CYP24A1 1547/4885CYP27A1 2015/4885CYP26A1 1373/4885

“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.