SCHEMBL5097759

SCHEMBL5097759

Fc1ccc2c(C3CCNC3)c[nH]c2c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.69
SLC6A4 P31645 4/20 0.56
APP P05067 4/20 0.54
DRD2 P14416 2/20 0.54
ADRA1D P25100 3/20 0.52
HTR2C P28335 3/20 0.51
ADRB2 P07550 1/20 0.51
IDO1 P14902 1/20 0.49
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
TDO2 P48775 2/20 0.46
KCNH2 Q12809 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL31295107 1.00 HTR2A (0.69) HTR2ASLC6A4APPDRD2ADRA1D
SCHEMBL5097763 1.00 HTR2A (0.69) HTR2ASLC6A4APPDRD2ADRA1D
Lithium Ion SCHEMBL31530810 0.97 HTR2A (0.66) HTR2ASLC6A4APPDRD2ADRA1D
SCHEMBL2904310 0.91 HTR2A (0.64) HTR2ASLC6A4APPDRD2ADRA1D
SCHEMBL30275187 0.91 HTR2A (0.64) HTR2ASLC6A4APPDRD2ADRA1D
Hydrochloric Acid SCHEMBL6248133 0.90 HTR2C (0.63) HTR2ASLC6A4APPDRD2ADRA1D
SCHEMBL5453495 0.88 SLC6A4 (0.56) HTR2ASLC6A4APPHTR2CADRB2
SCHEMBL31295173 0.88 HTR2A (0.59) HTR2ASLC6A4APPDRD2ADRA1D
SCHEMBL28316012 0.82 SLC6A4 (0.56) HTR2ASLC6A4APPHTR2CADRB2
SCHEMBL1720378 0.82 HTR2A (0.48) HTR2ASLC6A4APPHTR2CADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335660-B2 Isochroman compounds for treatment of CNS disorders ELI LILLY AND COMPANY (US) 2008-02-26 US disclosed
CN-1312148-C Isochroman compounds for treatment of CNS disorders LILLY CO ELI (US) 2007-04-25 CN disclosed
EP-1458703-B1 ISOCHROMAN COMPOUNDS FOR TREATMENT OF CNS DISORDERS LILLY CO ELI (US) 2007-02-28 EP disclosed
CN-1620447-A Isochroman compounds for treatment of cns disorders LILLY CO ELI (US) 2005-05-25 CN disclosed
US-20050014750-A1 Isochroman compounds for treatment of cns disorders ELI LILLY AND COMPANY 2005-01-20 US disclosed
EP-1409476-B1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY LILLY CO ELI (US) 2004-12-15 EP disclosed
US-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity GILMORE JEREMY (GB) 2004-09-16 US disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1409476-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2003006455-A1 PHARMACEUTICAL COMPOUNDS WITH SEROTONIN RECEPTOR ACTIVITY ELI LILLY AND COMPANY (US) 2003-01-23 WO disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
WO-1999010346-A1 BENZOTHIADIAZINYL-INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY LIMITED (GB) 1999-03-04 WO disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO 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-20040180883-A1 Pharmaceutical compounds with serotonin receptor activity HTR1A, HTR5A, HTR1E HTR2A 5/4885SLC6A4 33/4885APP 1709/4885
US-20050014750-A1 Isochroman compounds for treatment of cns disorders INA, CNR2, CNR1 HTR2A 131/4885SLC6A4 506/4885APP 2302/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HTR2A 2038/4885SLC6A4 1958/4885APP 2128/4885

“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.