SCHEMBL2155272

SCHEMBL2155272

COc1cccc(C#CCO)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
CHRM3 P20309 3/20 0.56
FFAR1 O14842 1/20 0.51
GRM5 P41594 4/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
EGFR P00533 1/20 0.45
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL23350659 0.86 CHRM2 (0.54) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL23843579 0.84 CHRM2 (0.57) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL6132140 0.82 GRM5 (0.66) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL30707880 0.82 GRM5 (0.66) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL13520579 0.82 CHRNA3 (0.57) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL29745229 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL19291472 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL8617907 0.82 CHRM2 (0.56) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL9049046 0.81 EGFR (0.43) CHRM2CHRM1CHRM3FFAR1GRM5
SCHEMBL16298669 0.81 CHRM2 (0.55) CHRM2CHRM1CHRM3FFAR1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN claimed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN claimed
CN-117466790-B Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-05-28 CN disclosed
CN-117466790-A Preparation method of alpha-sulfinylated carbonyl compound 西北师范大学 2024-01-30 CN disclosed
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
CN-110467514-B Preparation method of alpha-halogenated unsaturated aldehyde ketone 上海应用技术大学 2023-03-28 CN disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
EP-3017307-B1 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING UNIV STRASBOURG (FR) 2018-11-21 EP disclosed
US-10131626-B2 3-aryl propiolonitrile compounds for thiol labeling UNIVERSITE DE STRASBOURG (FR) 2018-11-20 US disclosed
US-20170210700-A1 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-07-27 US disclosed
US-9663454-B2 3-aryl propiolonitrile compounds for thiol labeling UNIVERSITE DE STRASBOURG (FR) 2017-05-30 US disclosed
EP-0900217-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
EP-0900219-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-03-10 EP disclosed
EP-0888355-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-01-07 EP disclosed
WO-1997040042-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed
WO-1997040043-A1 HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1997-10-30 WO disclosed
WO-1997034899-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-09-25 WO disclosed
EP-0764165-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1997-03-26 EP disclosed
US-5514812-A Preparation of stereochemically pure oximes with muscarinic activity WARNER-LAMBERT COMPANY (US) 1996-05-07 US disclosed
WO-1995034562-A1 PREPARATION OF STEREOCHEMICALLY PURE OXIMES WITH MUSCARINIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1995-12-21 WO 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-10131626-B2 3-aryl propiolonitrile compounds for thiol labeling PTMS, TST, PNN CHRM2 4355/4885CHRM1 4021/4885CHRM3 2260/4885
US-20170210700-A1 3-ARYL PROPIOLONITRILE COMPOUNDS FOR THIOL LABELING PTMS, TST, PNN CHRM2 4355/4885CHRM1 4021/4885CHRM3 2260/4885

“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.