SCHEMBL13723931

SCHEMBL13723931

Cc1cccc2c(C#N)nccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PSMD14 O00487 2/20 0.41
COPS5 Q92905 2/20 0.41
CACNA2D1 P54289 2/20 0.40
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
USP8 P40818 1/20 0.37
TSHR P16473 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
ELANE P08246 2/20 0.35
LRRK2 Q5S007 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL4856952 0.78 PLAU (0.46) ALDH1A1KDM4EPOLBCACNA2D1TSHR
SCHEMBL28683978 0.78 KDM4E (0.62) CYP1A2CYP2A6ALDH1A1KDM4EPOLB
SCHEMBL3939571 0.78 ALDH1A1 (0.48) CYP1A2ALDH1A1KDM4EPOLBCACNA2D1
SCHEMBL20292623 0.78 KDM4E (0.44) ALDH1A1KDM4EPOLBCACNA2D1TSHR
SCHEMBL7438690 0.78 KDM4E (0.44) CYP1A2ALDH1A1KDM4EPOLBCACNA2D1
SCHEMBL18368394 0.77 CACNA2D1 (0.43) CYP1A2ALDH1A1KDM4EPOLBPSMD14
SCHEMBL2627866 0.77 CACNA2D1 (0.41) ALDH1A1KDM4EPOLBCACNA2D1HTR1A
SCHEMBL754037 0.77 PLAU (0.50) ALDH1A1KDM4EPOLBCACNA2D1HTR1A
SCHEMBL13146691 0.77 KDM4E (0.61) CYP1A2CYP2A6ALDH1A1KDM4EPOLB
SCHEMBL20470726 0.75 CYP1A2 (0.54) CYP1A2CYP2A6ALDH1A1KDM4EPSMD14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US 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
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
WO-2017007689-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2017-01-12 WO disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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 (4 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-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP1A2 4427/4885CYP2A6 3831/4885ALDH1A1 2149/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP1A2 1186/4885CYP2A6 1251/4885ALDH1A1 1143/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS CYP1A2 4427/4885CYP2A6 3831/4885ALDH1A1 2149/4885
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 CYP1A2 1464/4885CYP2A6 1654/4885ALDH1A1 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.