SCHEMBL9728990

SCHEMBL9728990

C1=NCC=Nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.39

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
SCHEMBL5050147 0.73 TRPA1 (0.58) TRPA1
SCHEMBL29633894 0.73
SCHEMBL9926021 0.73 TRPA1 (0.58) TRPA1
SCHEMBL15075855 0.73
SCHEMBL30691872 0.73 TRPA1 (0.58) TRPA1
SCHEMBL2936989 0.69 TRPA1 (0.40) TRPA1
SCHEMBL789562 0.68 TRPA1 (0.38) TRPA1
SCHEMBL3109349 0.68 TRPA1 (0.38) TRPA1
SCHEMBL3092895 0.67 TRPA1 (0.31) TRPA1
SCHEMBL2908519 0.67 TRPA1 (0.31) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11001698-B2 Stabilizer composition BASF SE 2021-05-11 US disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2020-11-17 US disclosed
US-10683256-B2 Process for preparing substituted biphenyls BASF SE (DE) 2020-06-16 US disclosed
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2020-05-14 US disclosed
US-20200048431-A1 STABILIZER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20200048394-A1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
EP-3115361-B1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2019-10-23 EP disclosed
US-20150299132-A1 AROMATIC IMIDE COMPOUND AND METHOD FOR PRODUCING SAME AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2015-10-22 US disclosed
US-20150299132-A1 AROMATIC IMIDE COMPOUND AND METHOD FOR PRODUCING SAME AZ ELECTRONIC MATERIALS (LUXEMBOURG) S.A.R.L. (US) 2015-10-22 US disclosed
WO-2015131856-A1 HETEROCYCLIC COMPOUNDS, AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2015-09-11 WO disclosed
US-5169850-A Neurotropic or hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-12-08 US disclosed
US-5141735-A Viricides for AIDS treatment HOFFMAN-LA ROCHE, INC. (US) 1992-08-25 US disclosed
EP-0031561-B1 A RECTALLY ADMINISTERED SUPPOSITORY COMPRISING A DRUG AND AN ADJUVANT MERCK & CO. INC. (US) 1985-04-10 EP disclosed
US-4145417-A TRANQUILIZERS, SEDATIVES, HYPNOTICS, ADDUCTS WITH ALDEHYDES DDSA PHARMACEUTICLAS LTD. (GB) 1979-03-20 US disclosed
US-4060608-A TRANQUILIZERS, SEDATIVE, HYPNOSIS INDUCER DDSA PHARMACEUTICALS (EN) 1977-11-29 US disclosed
US-4006135-A Hydroxymethyl benzodiazepine derivatives DDSA PHARMACEUTICALS (EN) 1977-02-01 US disclosed
US-3932399-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1976-01-13 US 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 (7 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-10683256-B2 Process for preparing substituted biphenyls PIK3CA, PIK3CB, PIK3CG TRPA1 2966/4885
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL TRPA1 3258/4885
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN2B, GRIN3A, GABRA5 TRPA1 238/4885
US-20200148610-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL TRPA1 3258/4885
US-10836688-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL TRPA1 3258/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL TRPA1 3258/4885
US-20150299132-A1 AROMATIC IMIDE COMPOUND AND METHOD FOR PRODUCING SAME H1-0, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HRH4 TRPA1 93/4885

“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.