SCHEMBL1248752

SCHEMBL1248752

CNCCCc1c[nH]c2ccccc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.81
HTR1A P08908 4/20 0.81
KDM4E B2RXH2 2/20 0.81
ALDH1A1 P00352 2/20 0.81
HTT P42858 1/20 0.81
MPO P05164 2/20 0.64
SLC6A4 P31645 1/20 0.62
IDO1 P14902 1/20 0.62
MC5R P33032 1/20 0.59
MC3R P41968 1/20 0.59
MC1R Q01726 1/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
CYP3A4 P08684 2/20 0.59
MAPT P10636 1/20 0.59
AHR P35869 1/20 0.59
GPR84 Q9NQS5 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP1A2 P05177 2/20 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL29385251 0.90 HTR2A (1.00) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL379409 0.90 HTR2A (1.00) HTR2AHTR1AKDM4EALDH1A1HTT
Hydrochloric Acid SCHEMBL2684408 0.88 HTR2A (0.97) HTR2AHTR1AKDM4EALDH1A1HTT
Water SCHEMBL27796022 0.87 HTR2A (0.93) HTR2AHTR1AKDM4EALDH1A1HTT
Cyanide SCHEMBL29233340 0.85 HTR2A (0.90) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL7004146 0.84 HTR2A (0.71) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL7005718 0.84 HTR2A (0.71) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL14094616 0.83 HTR2A (0.61) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL19411654 0.83 KDM4E (0.61) HTR2AHTR1AKDM4EALDH1A1HTT
SCHEMBL7889427 0.82 HTR2A (0.69) HTR2AHTR1AKDM4EALDH1A1HTT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722333-A1 Spiro-indole derivatives for the treatment of parasitic diseases. Novartis AG (CH) 2014-04-23 EP disclosed
EP-2285808-B1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2013-11-20 EP disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-8399453-B2 Organic compounds NOVARTIS AG (CH) 2013-03-19 US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
EP-0848706-B1 SUBSTITUTED BENZENE-FUSED HETEROCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
EP-0848706-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1998-06-24 EP disclosed
US-5691362-A ANTIHISTAMINES, BRONCHODILATORS, ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL DISORDERS SCHERING-PLOUGH CORPORATION (US) 1997-11-25 US disclosed
WO-1996039383-A1 SUBSTITUTED BENZENE-FUSED HETERO- AND CARBOCYCLICS AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 1996-12-12 WO disclosed
EP-0146787-B1 INDOLE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1988-08-17 EP disclosed
US-4616011-A BRADYCARDIAL AND ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-10-07 US disclosed
EP-0146787-A2 Indole derivatives, medicaments containing these compounds, and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-03 EP disclosed
US-4350634-A HYPOTENSIVE AGENTS SANDOZ LTD. (CH) 1982-09-21 US disclosed
EP-0000355-B1 NEW INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ AG (CH) 1982-01-06 EP disclosed
EP-0000355-A1 New indole derivatives, processes for their preparation, and pharmaceutical compositions containing them. SANDOZ AG (CH) 1979-01-24 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 (1 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-20110275613-A1 ORGANIC COMPOUNDS OTC, PC, OAT HTR2A 4625/4885HTR1A 4697/4885KDM4E 1034/4885

“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.