SCHEMBL2583835

SCHEMBL2583835

ICCC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.56
HTR2A P28223 7/20 0.52
TAAR1 Q96RJ0 1/20 0.48
KCNH2 Q12809 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
SMPD1 P17405 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
CASR P41180 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
SCHEMBL5726358 0.86 HRH1 (0.62) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL5738016 0.83 HRH1 (0.56) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL3290730 0.82 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL10942346 0.80 ALDH1A1 (0.52) HRH1HTR2ACYP3A4SLC6A2HTR2B
SCHEMBL844862 0.79 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL27321444 0.79 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL2732016 0.79 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL17008844 0.79 HRH1 (0.41) HRH1HTR2ATAAR1LMNAALDH1A1
SCHEMBL7492875 0.78 HRH1 (0.56) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL2096306 0.78 HRH1 (0.56) HRH1HTR2ATAAR1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity WASHINGTON UNIVERSITY (US) 2025-03-11 US disclosed
US-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2023-08-31 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY WASHINGTON UNIVERSITY 2020-09-10 US disclosed
US-8859777-B2 4-fluoro-4-arylpiperdin-1-yl derivatives as mu opioid function moderators KINENTIA BIOSCIENCES LLC (US) 2014-10-14 US disclosed
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES, LLC (US) 2013-02-21 US disclosed
EP-2335701-B1 Heterocyclic aspartyl protease inhibitors SCHERING CORP (US) 2012-07-11 EP disclosed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 WO disclosed
EP-2153832-A2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-02-17 EP disclosed
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0929534-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 1999-07-21 EP disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 WO disclosed
WO-1998013356-A1 TRYCYCLIC COMPOUNDS AS PROSTAGLANDIN I2 RECEPTOR AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-02 WO disclosed
US-5717109-A CARBOXYCYCLOPROPYL GLYCINE DERIVATIVES; USEFUL FOR TREATMENT OF ACUTE OR CHRONIC NEURODEGENERATIVE CONDITIONS, AND AS ANTIPSYCHOTIC, ANTICONVULSANT, ANALGESIC, ANXIOLYTIC, ANTIDEPRESSANT AND ANTI-EMETIC AGENTS ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
EP-0703218-A1 Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed
WO-1996005828-A1 PYRROLIDINYL DI-CARBOXYLIC ACID DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-29 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 (5 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-20230272449-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP HRH1 2713/4885HTR2A 4770/4885TAAR1 4028/4885
US-12247246-B2 Identification of inhibitors of TcpC and TIR NADase activity NADK, NAPRT, TIPARP HRH1 2713/4885HTR2A 4770/4885TAAR1 4028/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 HRH1 705/4885HTR2A 4876/4885TAAR1 3983/4885
US-20200283820-A1 IDENTIFICATION OF INHIBITORS OF TCPC AND TIR NADase ACTIVITY NADK, NAPRT, TIPARP HRH1 2713/4885HTR2A 4770/4885TAAR1 4028/4885
US-20130045165-A1 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS OPRD1, OPRK1, OPRM1 HRH1 1788/4885HTR2A 74/4885TAAR1 90/4885

“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.