SCHEMBL270397

SCHEMBL270397

[CH2]CCC(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
SCHEMBL8753491 0.97 HRH1 (0.54) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL2096612 0.84 HRH1 (0.60) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL2091869 0.82 HRH1 (0.58) HRH1HTR2ATAAR1KCNH2SIGMAR1
SCHEMBL3290730 0.82 HRH1 (0.68) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL4354924 0.81 HRH1 (0.42) HRH1HTR2ATAAR1CYP2D6LMNA
SCHEMBL3389109 0.80 HRH1 (0.56) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL3389409 0.80 HRH1 (0.56) HRH1HTR2ATAAR1SIGMAR1
SCHEMBL2732016 0.79 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL844862 0.79 HRH1 (0.65) HRH1HTR2ATAAR1KCNH2CYP3A4
SCHEMBL11883090 0.79 HRH1 (0.41) HRH1HTR2ATAAR1LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619213-B1 MONOHYDROXY CYCLIC PHOSPHONATE SUBSTANTIALLY FREE OF POLYHYDOXY PHOSPHONATE, PROCESS FOR MAKING SAME AND FLAME RETARDANT FLEXIBLE POLYURETHANE FOAM OBTAINED THEREFROM ICL IP AMERICA INC (US) 2014-09-03 EP claimed
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US claimed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US claimed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US claimed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US claimed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US claimed
US-7294639-B2 Biaromatic ligand activators of PPARγ receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-11-13 US claimed
US-20070187847-A1 Process for the preparation of pure aryllithium compounds and their use EMMEL UTE 2007-08-16 US claimed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US claimed
EP-0686150-A1 Process for the preparation of C-nucleosides and C-nucleoside analogues, new C-nucleosides and C-nucleoside analogues and their use MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (DE) 1995-12-13 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
WO-1994019327-A1 NUCLEOSIDES, THEIR PREPARATION AND THEIR USE AS THERAPEUTIC AGENTS AND AS BUILDING BLOCKS OF SYNTHETIC OLIGONUCLEOTIDES Max-Delbrück-Centrum für Molekulare Medizin (DE) 1994-09-01 WO claimed
US-5288905-A Glycyl urea derivatives as anti-convulsants G. D. SEARLE & CO. (US) 1994-02-22 US claimed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
EP-0237226-B1 PRESSURE-SENSITIVE RECORD MATERIAL APPLETON PAPERS INC. (US) 1990-10-10 EP claimed
US-4677211-A Preparation of lactones SANDOZ PHARMACEUTICALS CORP. (US) 1987-06-30 US claimed
US-4631286-A MEMORY ENHANCERS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-12-23 US claimed
EP-0168626-A1 Composition for the manufacture of a medicament for the therapeutic treatment of trauma of the skin BAR-ILAN UNIVERSITY (IL) 1986-01-22 EP claimed

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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP HRH1 379/4885HTR2A 2429/4885TAAR1 4177/4885
US-20070187847-A1 Process for the preparation of pure aryllithium compounds and their use TYR, MLLT3, MLLT1 HRH1 3474/4885HTR2A 2944/4885TAAR1 704/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP HRH1 379/4885HTR2A 2429/4885TAAR1 4177/4885

“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.