SCHEMBL5337540

SCHEMBL5337540

CC(C)(C)OC(=O)N1CC=C(c2cccc(N)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.58
GRM5 P41594 11/20 0.58
PDK4 Q16654 1/20 0.55
NAMPT P43490 1/20 0.49
TNK2 Q07912 2/20 0.48
HTR6 P50406 1/20 0.46
JAK1 P23458 1/20 0.46
ATR Q13535 1/20 0.45
BTK Q06187 1/20 0.45

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
SCHEMBL30308912 0.92 GRM1 (0.64) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL901325 0.89 GRM1 (0.50) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL17837639 0.87 GRM1 (0.57) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL23362181 0.87 GRM1 (0.59) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL16544582 0.87 GRM5 (0.59) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL29664333 0.87 GRM1 (0.59) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL2878306 0.86 GRM1 (0.60) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL23873484 0.86 GRM1 (0.58) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL5337565 0.86 GRM1 (0.58) GRM1GRM5PDK4NAMPTTNK2
SCHEMBL29826464 0.86 GRM1 (0.60) GRM1GRM5PDK4NAMPTTNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246959-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2024-07-25 US disclosed
EP-4242202-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Shenzhen Salubris Pharmaceuticals Co., Ltd. (CN) 2023-09-13 EP disclosed
WO-2023000834-A1 BENZIMIDAZOLE OR AZABENZIMIDAZOLE-6-CARBOXYLIC ACID COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2023-01-26 WO disclosed
WO-2022111624-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 深圳信立泰药业股份有限公司 2022-06-02 WO disclosed
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 WO disclosed
EP-2331522-B1 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA LP (US) 2013-09-18 EP disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHIONOGI & CO., LTD. (JP) 2013-06-13 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-8324249-B2 Tetrahydropyridinyl and dihydropyrrolyl compounds and the use thereof PURDUE PHARMA L.P. (US) 2012-12-04 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof SHINOGI & CO., LTD. (JP) 2011-06-09 US disclosed
WO-2010014257-A2 TETRAHYDROPYRIDINYL AND DIHYDROPYRROLYL COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2010-02-04 WO disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 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 (6 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX GRM1 4646/4885GRM5 4725/4885PDK4 562/4885
US-20240246959-A1 BENZIMIDAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GLP1R, GIPR, GCGR GRM1 851/4885GRM5 1465/4885PDK4 680/4885
US-20130150377-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E GRM1 428/4885GRM5 265/4885PDK4 2303/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX GRM1 4646/4885GRM5 4725/4885PDK4 562/4885
US-20110136833-A1 Tetrahydropyridinyl and Dihydropyrrolyl Compounds and the Use Thereof TRPV1, CACNA1A, CACNA1E GRM1 428/4885GRM5 265/4885PDK4 2303/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX GRM1 4646/4885GRM5 4725/4885PDK4 562/4885

“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.