SCHEMBL1344112

SCHEMBL1344112

Cc1cccc(C#N)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
AR P10275 10/20 0.41
ALDH1A1 P00352 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
SLC22A12 Q96S37 2/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL30166195 1.00 TSHR (0.60) TSHRARALDH1A1MCL1CYP1A2
Hydrochloric Acid SCHEMBL28845702 0.98 TSHR (0.58) TSHRARALDH1A1MCL1CYP1A2
SCHEMBL11099454 0.88 TSHR (0.52) TSHRARALDH1A1SLC22A12DYRK1A
SCHEMBL3237062 0.83 TSHR (0.46) TSHRARALDH1A1MCL1DYRK1A
SCHEMBL29941499 0.81 TSHR (0.65) TSHRARALDH1A1CYP1A2CYP2C19
SCHEMBL102574 0.81 TSHR (0.65) TSHRARALDH1A1CYP1A2CYP2C19
SCHEMBL9715679 0.79 AR (0.46) TSHRARALDH1A1
Hydrochloric Acid SCHEMBL20840273 0.79 TSHR (0.62) TSHRARALDH1A1CYP1A2CYP2C19
SCHEMBL5498981 0.78 AR (0.50) TSHRARSLC22A12
SCHEMBL16950511 0.77 TSHR (0.38) TSHRALDH1A1CYP1A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104188971-B SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AND USES THEREOF 配体药物公司 2017-05-03 CN claimed
EP-0657430-B1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1999-06-02 EP claimed
EP-0657430-A1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1995-06-14 EP claimed
CN-115380030-B N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2025-05-16 CN disclosed
CN-117580839-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2024-02-20 CN disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
WO-2023011608-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海枢境生物科技有限公司 2023-02-09 WO disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
CN-115380030-A N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2022-11-22 CN disclosed
WO-2021202781-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 WO disclosed
WO-1996025426-A9 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS 1997-06-12 WO disclosed
US-5633384-A FROM O-ALKYLTHIOBENZONITRILES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-05-27 US disclosed
EP-0702008-A2 Method for producing 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-03-20 EP disclosed
EP-0657430-A1 Isopropyl-(2-methoxyethyl)-4-(2-chloro-3-cyano-phenyl)-1,4-dihydro-2,6-dimethyl-piridine-3,5-dicarboxylate BAYER AG (DE) 1995-06-14 EP disclosed
US-5124342-A Antiinflammatory, antiarthritic agents; antiallergens; skin disorders ABBOTT LABORATORIES (US) 1992-06-23 US disclosed
EP-0457803-A4 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS 1991-12-04 EP disclosed
EP-0457803-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1991-11-27 EP disclosed
WO-1990009801-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed
WO-1990009381-A1 4-HYDROXYTHIAZOLES AS 5-LIPOXYGENASE INHIBITORS ABBOTT LABORATORIES (US) 1990-08-23 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 (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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 TSHR 33/4885AR 358/4885ALDH1A1 2983/4885

“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.