SCHEMBL4945

SCHEMBL4945

[CH2]CC1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
ACHE P22303 1/20 0.33
EPHX1 P07099 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 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
SCHEMBL8186469 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL867090 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL5176 1.00
SCHEMBL2176278 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL21831592 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL867442 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL9259493 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL21831419 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL22027477 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL4941 1.00

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 1194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116903480-A Method for preparing beta-enaminone based on sulfoxide and aldoxime and beta-enaminone 盐城师范学院 2023-10-20 CN claimed
CN-111233786-B Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2021-11-26 CN claimed
CN-111233786-A Benzene sulfonamide compound containing five-membered heterocycle and preparation method and application thereof 中国人民解放军军事科学院军事医学研究院 2020-06-05 CN claimed
CN-110143886-A The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol 北京化工大学 2019-08-20 CN claimed
CN-110117220-A A kind of preparation method of naphthene amino phenol intermediate 中国科学院长春应用化学研究所 2019-08-13 CN claimed
CN-1330734-C Heat transfer fluids suitable for use over a wide temperature range SOLUTIA EUROP S A NV (BE) 2007-08-08 CN claimed
US-6420398-B2 FOR TREATING AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS; 4-(3-(2-(ACETYLTHIO)ETHYL)-3-(2-CYCLOHEXYLETHYL)-UREIDOMETHYL)-1 -METHYLPYRIDINIUM IODIDE, FOR EXAMPLE; INHIBIT PRODUCTION OF TUMOR NECROSIS FACTOR ALPHA (TNF-A) SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-11-15 US claimed
EP-1103543-A1 NOVEL UREA DERIVATIVES BEARING NITROGENOUS AROMATIC HETEROCYCLES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP claimed
US-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism NIPPON SODA CO., LTD. (JP) 2024-07-16 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
EP-3597670-B1 WATER-SOLUBLE COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT THEREOF, AND CURED PRODUCT THEREOF, AND ACYL PHOSPHINATE ADEKA CORP (JP) 2024-07-10 EP disclosed
EP-3719030-B1 19-NOR NEUROACTIVE STEROIDS FOR INDUCING SEDATION SAGE THERAPEUTICS INC (US) 2024-07-10 EP disclosed
EP-4392432-A2 POSITIVE NMDA-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Sage Therapeutics, Inc. (US) 2024-07-03 EP disclosed
EP-0046940-A2 Extraction process for the selective removal of cobalt (II) from aqueous solutions CYANAMID CANADA INC. (CA) 1982-03-10 EP disclosed
EP-0046933-A2 Extraction process for the selective removal of cobalt (II) from aqueous solutions CYANAMID CANADA INC. (CA) 1982-03-10 EP disclosed
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
EP-0010420-A1 Pyridyl-substituted thiazolidine and 1,3-thiazine derivatives, processes for their preparation, agricultural compositions containing said derivatives and methods for regulating plant growth and protecting plants from fungi ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed
US-4039677-A FUNGICIDES, BACTERICIDES, ANTIPROTOZOA AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-02 US disclosed
US-4038409-A FUNGICIDES, BACTERICIDES, PROTOZOICIDES SYNTEX (U.S.A.) INC. (US) 1977-07-26 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 (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-12037326-B2 Diaryl-azole compound and formulation for controlling harmful organism CRY1, CRKL, CDC5L CHRM5 168/4885CYP1A2 64/4885ADRA2C 1057/4885
US-20010041725-A1 Novel urea derivatives having nitrogen aromatic heterocycle TNF, UACA, HRH4 CHRM5 1244/4885CYP1A2 1721/4885ADRA2C 2127/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 CHRM5 45/4885CYP1A2 50/4885ADRA2C 266/4885

“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.