SCHEMBL465580

SCHEMBL465580

O=[C]Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
IDO1 P14902 3/20 0.46
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAOB P27338 1/20 0.41
AGXT P21549 2/20 0.41
SLC6A4 P31645 2/20 0.41
HSD17B10 Q99714 1/20 0.40
MIF P14174 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DAO P14920 2/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL7448292 0.93 MAOB (0.52) TAAR1IDO1LMNACYP2A6MEN1
SCHEMBL11139354 0.86 CYP3A4 (0.42) KMT2AHSD17B10CYP2C9
SCHEMBL18245392 0.79 IDO1 (0.46) TAAR1IDO1LMNACYP2A6MEN1
SCHEMBL4228712 0.78 IDO1 (0.50) TAAR1IDO1LMNACYP2A6MEN1
SCHEMBL18427888 0.78 HRH3 (0.41) TAAR1LMNAMAOB
SCHEMBL9127147 0.75 IDO1 (0.42) TAAR1IDO1LMNACYP2A6MEN1
SCHEMBL440374 0.75 TAAR1 (0.50) TAAR1IDO1MEN1KMT2AMAOB
SCHEMBL17497708 0.75 TAAR1 (0.34) TAAR1LMNACYP2A6MAOBCYP2C19
SCHEMBL96029 0.74 TAAR1 (0.48) TAAR1IDO1LMNAMAOBAGXT
SCHEMBL7587196 0.74 CYP3A4 (0.41) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-113880764-B Sinomenine derivative and preparation method and application thereof 北京师范大学 2023-04-18 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
CN-113880764-A Sinomenine derivative and preparation method and application thereof 北京师范大学 2022-01-04 CN claimed
EP-3743061-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS Pascal Biosciences Inc. (CA) 2020-12-02 EP claimed
US-RE48335-E1 Polymyxin derivatives as antimicrobial compounds MONASH UNIVERSITY (AU) 2020-12-01 US claimed
CN-110734441-A 3, 3' -pyrrolidine indole spiro-compound and preparation method and application thereof 广州大学 2020-01-31 CN claimed
WO-2019144126-A1 CANNABINOIDS AND DERIVATIVES FOR PROMOTING IMMUNOGENICITY OF TUMOR AND INFECTED CELLS PASCAL BIOSCIENCES INC. (CA) 2019-07-25 WO claimed
US-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS MONASH UNIVERSITY (AU) 2017-05-18 US claimed
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
EP-0019411-B1 1-PHENYL-2-AMINOETHANOL DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP claimed
US-4323575-A TOPICAL ANTIINFLAMMATORY AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-06 US claimed
US-4281107-A PARTICULARLY 5,6-DIDEOXYNEAMINE, USEFUL AS AN ANTIMICROBIAL AGENT SUAMI T 1981-07-28 US claimed
EP-0019411-A1 1-Phenyl-2-aminoethanol derivatives, processes for their manufacture and pharmaceutical compositions thereof IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-11-26 EP claimed
US-4159267-A Novel silyl ester azetidine-2-sulfenate intermediates and process for preparing desacetoxycephalosporins ELI LILLY AND COMPANY (US) 1979-06-26 US claimed
US-4129719-A ANTIBIOTICS SUAMI T 1978-12-12 US claimed
US-4094976-A ANTICOCCIDIAL CYCLICAMINO ETHANOLS AND ESTERS THEREOF MERCK & CO., INC. (US) 1978-06-13 US claimed
US-3975532-A ANALGESIC ICI UNITED STATES INC. (US) 1976-08-17 US claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 US claimed
US-3953596-A 8-Oxa-3-azabicyclo(3.2.1)octane analgesic compositions and method of alleviating pain in animals ICI UNITED STATES INC. (US) 1976-04-27 US 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 (1 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-20170137469-A1 POLYMYXIN DERIVATIVES AS ANTIMICROBIAL COMPOUNDS VIP, PEPD, NRDC TAAR1 4703/4885IDO1 3245/4885LMNA 2991/4885

“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.