SCHEMBL81474

SCHEMBL81474

COc1cccc(CCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.63
CHRM1 P11229 2/20 0.63
CHRM3 P20309 2/20 0.63
TAAR1 Q96RJ0 1/20 0.62
MTNR1A P48039 2/20 0.60
MTNR1B P49286 2/20 0.60
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
SIGMAR1 Q99720 2/20 0.56
AOC3 Q16853 1/20 0.56
IDO1 P14902 1/20 0.53
AGXT P21549 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL23266720 0.95 CHRM2 (0.61) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL17274721 0.93 HDAC1 (0.62) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL15746740 0.93 HDAC1 (0.62) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL7743344 0.90 BACE1 (0.55) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL43521 0.89 TAAR1 (0.67) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL29986862 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002162 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002016 0.88 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1MTNR1A
SCHEMBL21002124 0.86 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1MTNR1A
Alcohol SCHEMBL5332610 0.85 TAAR1 (0.62) CHRM2CHRM1CHRM3TAAR1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1309723-C Method for producing optically active salicylaldimine copper complex SUMITOMO CHEMICAL CO (JP) 2007-04-11 CN claimed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
CN-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
CN-109879852-B Naphthopyran branched triptycene compound, preparation method and application thereof 上海甘田光学材料有限公司 2023-05-30 CN disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 CN disclosed
CN-110407739-B Preparation method of (4, 6-diaryl-tetrahydropyridine-3-yl) (aryl) ketone 上海应用技术大学 2021-09-28 CN disclosed
CN-113264865-A 2-amino-4-benzoyl-4, 5-dihydro-1H-pyrrole-3-carbon nitrile and preparation method thereof 上海应用技术大学 2021-08-17 CN disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-5541228-A Melatonergic agents BRISTOL-MYERS SQUIBB CO. (US) 1996-07-30 US disclosed
EP-0706994-A1 Melatonergic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-17 EP disclosed
EP-0162208-B1 NOVEL N-SUBSTITUTED 3,4-DIHYDROPYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1989-11-23 EP disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
US-4618683-A Tetrahydro-6,7-dimethoxy-1H-benz[e]isoinodolines useful in the treatment of hypertension and as sedatives ABBOTT LABORATORIES (US) 1986-10-21 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
US-3989723-A ANTICOCCIDIAL, INSECTICIDES, ACARICIDES ELI LILLY AND COMPANY (US) 1976-11-02 US disclosed
US-3979458-A Production of unsaturated carbocyclic ketones SYNTEX CORPORATION (PM) 1976-09-07 US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 US disclosed
US-3953474-A ANTICOCCIDIAL, ANTIMICROBIAL ELI LILLY AND COMPANY (US) 1976-04-27 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 (2 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-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 CHRM2 3703/4885CHRM1 3946/4885CHRM3 3292/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 CHRM2 651/4885CHRM1 209/4885CHRM3 1221/4885

“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.