SCHEMBL63802

SCHEMBL63802

Cc1[c]ccc2c1CCCO2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.35
HTR2A P28223 7/20 0.35
HTR2B P41595 7/20 0.35
HTR1A P08908 6/20 0.35
HTR1D P28221 5/20 0.35
HTR6 P50406 2/20 0.34
HTR4 Q13639 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2C P18825 1/20 0.34
HTR1B P28222 1/20 0.34
HTR7 P34969 1/20 0.34
ACHE P22303 1/20 0.32
MTNR1A P48039 4/20 0.32
MTNR1B P49286 3/20 0.32
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30

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
SCHEMBL5320521 0.89 KIF11 (0.34) HTR2CHTR2AHTR2BMTNR1AMTNR1B
SCHEMBL63494 0.77 HTR2C (0.35) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL1143507 0.73 HTR2C (0.45) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL62556 0.71 ITGB2 (0.36) ADRA2AADRA2CMTNR1A
SCHEMBL13035776 0.71 HTR2C (0.43) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL436160 0.71 MAP3K14 (0.46) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL64098 0.70
SCHEMBL13861841 0.68 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL14405274 0.68 HTR2C (0.38) HTR2CHTR2AHTR2BHTR1AHTR1D
SCHEMBL18288209 0.68 HTR2C (0.41) HTR2CHTR2AHTR2BHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392561-B1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORP (US) 2016-09-14 EP claimed
EP-1534658-B1 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2016-09-07 EP claimed
US-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US claimed
EP-2392561-A1 Alpha-acylaminoketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex Intrexon Corporation (US) 2011-12-07 EP claimed
US-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex RHEOGENE, INC. 2009-04-30 US claimed
CN-100475033-C Cyclopropene supply system ROHM & HAAS (US) 2009-04-08 CN claimed
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-29 US claimed
US-7375093-B2 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex INTREXON CORPORATION (US) 2008-05-20 US claimed
EP-1534658-A4 KETONE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX RHEOGENE INC (US) 2006-10-04 EP claimed
CN-1219752-C Process for preparing substituted hydrazide by using carboxylic acid DOW AGROSCIENCES LLC (US) 2005-09-21 CN claimed
US-20030065192-A1 Antimicrobial compounds and methods of use GHOSH TIRTHANKAR (US) 2003-04-03 US claimed
EP-0982292-B1 Process for the preparation of monoacylhydrazines using carboxylic acids DOW AGROSCIENCES LLC (US) 2003-03-26 EP claimed
CN-1365609-A Antimicrobe compound and its use method ROHM & HAAS (US) 2002-08-28 CN claimed
EP-1223171-A1 Antimicrobial 5-substituted-3-isothiazolone compounds and methods of use Rohm and Haas (US) 2002-07-17 EP claimed
US-6096890-A Process for substituted hydrazides using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-08-01 US claimed
CN-1248576-A Process for preparing substituted hydrazide by using carboxylic acid ROHM & HAAS (US) 2000-03-29 CN claimed
EP-0982292-A2 Process for the preparation of monoacylhydrazines using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-03-01 EP claimed
US-5672723-A SELECTIVE HYDROLYSIS OR ALCOHOLYSIS OF A MIXTURE OF 1-ACYL-1-ALKYLHYDRAZINE AND 1-ACYL-2-ALKYLHYDRAZINE USING AN ACID CATALYST TO OBTAIN AN ACID OR ESTER AND THE STABLE 1-ACYL-2-ALKYLHYRAZINE NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1997-09-30 US claimed
EP-0639558-B1 Process for preparation of 1-acyl-2-substituted-hydrazines NIPPON KAYAKU KK (JP) 1996-10-23 EP claimed
EP-0639558-A1 Process for preparation of 1-acyl-2-substituted-hydrazines Nippon Kayaku Kabushiki Kaisha (JP) 1995-02-22 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-20090111183-A1 Ketone Ligands for Modulating the Expression of Exogenous Genes Via An Ecdysone Receptor Complex ESRRB, ESRRA, KDELR1 HTR2C 4270/4885HTR2A 3752/4885HTR2B 4349/4885
US-20030065192-A1 Antimicrobial compounds and methods of use TST, NISCH, PIR HTR2C 2376/4885HTR2A 4298/4885HTR2B 3450/4885
US-20080125465-A1 Ketone ligands for modulating the expression of exogenous genes via an ecdysone receptor complex ESRRB, ESRRA, KDELR1 HTR2C 4270/4885HTR2A 3752/4885HTR2B 4349/4885

“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.