SCHEMBL6404692

SCHEMBL6404692

CC(C)(C)CC(C)(C)CC(C)(C)N

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32

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
SCHEMBL11424207 0.97 CYP2D6 (0.30) CYP2D6
SCHEMBL11242160 0.97 CYP2D6 (0.30) CYP2D6
SCHEMBL11430858 0.97 CYP2D6 (0.30) CYP2D6
SCHEMBL22081148 0.88
SCHEMBL22081750 0.85
SCHEMBL4559131 0.82 TSHR (0.33)
SCHEMBL26368 0.82
SCHEMBL9514804 0.82
Methylamine SCHEMBL6868266 0.79 TSHR (0.31)
Hydrochloric Acid SCHEMBL2860424 0.79 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050155162-A1 Process for the coloration of aluminium CIBA SPECIALTY CHEMICALS CORP. 2005-07-21 US claimed
US-6074978-A WATER AND COMPOUND WITH LEWIS ACID COINITIATORS AND ORGANOMETAL PHENOXIDE HALIDE OR CARBOXYL HALIDES EXXON CHEMICAL PATENTS INC. (US) 2000-06-13 US claimed
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-10-20 US disclosed
WO-2020115190-A1 NOVEL ANTIBACTERIAL 3\"-DERIVATIVES OF 4,6-DISUBSTITUTED 2,5-DIDEOXYSTREPTAMINE AMINOGLYCOSIDE ANTIBIOTICS AGILEBIOTICS B.V. (NL) 2020-06-11 WO disclosed
US-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-08-08 US disclosed
US-9656994-B2 Substituted benzimidazoles as nociceptin receptor modulators THE SCRIPPS RESEARCH INSTITUTE (US) 2017-05-23 US disclosed
EP-1831315-B1 DYES THAT ARE SOLUBLE IN ORGANIC SOLVENTS BASF SE (DE) 2011-08-03 EP disclosed
US-7517369-B2 Coloring plastics using cationic dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-04-14 US disclosed
US-7470780-B2 Dyes that are soluble in organic solvents CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-30 US disclosed
US-20080319089-A1 Method of colouring carrier materials MULLER MARTIN 2008-12-25 US disclosed
US-20080184497-A1 Dyes That are Soluble in Organic Solvents CIBA SPECIALTY CHEMICALS CORP. 2008-08-07 US disclosed
US-20080103313-A1 Dyes that are Soluble in Organic Solvents CIBA SPECIALTY CHEMICALS CORP. 2008-05-01 US disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 US disclosed
US-20070051275-A1 Method of colouring carrier materials CIBA SPECIALTY CHEMICALS CORP. 2007-03-08 US disclosed
US-6074978-A WATER AND COMPOUND WITH LEWIS ACID COINITIATORS AND ORGANOMETAL PHENOXIDE HALIDE OR CARBOXYL HALIDES EXXON CHEMICAL PATENTS INC. (US) 2000-06-13 US disclosed
US-5703183-A POLYMERIZATION CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1997-12-30 US disclosed
WO-1995009190-A1 CARBOCATIONIC CATALYST AND PROCESS FOR ITS USE EXXON CHEMICAL PATENTS INC. (US) 1995-04-06 WO disclosed
US-4198520-A Nonionic monomeric emulsion stabilizers THE KENDALL COMPANY (US) 1980-04-15 US disclosed
US-3960935-A Nonionic monomeric emulsion stabilizers THE KENDALL COMPANY (US) 1976-06-01 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 (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-20190241544-A1 TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN OPRD1, SIGMAR1, OPRK1 CYP2D6 420/4885
US-20080103313-A1 Dyes that are Soluble in Organic Solvents CAT, TYR, KIT CYP2D6 842/4885
US-20080184497-A1 Dyes That are Soluble in Organic Solvents CAT, TYR, KIT CYP2D6 692/4885
US-20080319089-A1 Method of colouring carrier materials CRYAA, SLC67A1, SOD3 CYP2D6 2159/4885
US-10807970-B2 Tetrahydropyran and thiopyran derivatives having multimodal activity against pain OPRD1, SIGMAR1, OPRK1 CYP2D6 420/4885

“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.