SCHEMBL954529

SCHEMBL954529

CC(C)(C)NC(=O)OC1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.35
DPP4 P27487 2/20 0.34
CCNE1 P24864 5/20 0.33
CDK2 P24941 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GSK3B P49841 3/20 0.33
HSP90AB1 P08238 2/20 0.33
TOP2A P11388 2/20 0.33
SSTR4 P31391 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL1441784 1.00 CHRM3 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
SCHEMBL954528 1.00 CHRM3 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
Hydrochloric Acid SCHEMBL28057619 0.98 DPP4 (0.35) CHRM3DPP4CCNE1CDK2L3MBTL1
Methane SCHEMBL27926432 0.98 CHRM3 (0.34) CHRM3DPP4CCNE1CDK2L3MBTL1
Bicarbonate SCHEMBL1532914 0.97 CHRM3 (0.36) CHRM3DPP4CCNE1CDK2L3MBTL1
SCHEMBL17513413 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL740082 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL3698542 0.90 SLC6A1 (0.37) DPP4CCNE1CDK2L3MBTL1GSK3B
SCHEMBL854419 0.89 CHRM3 (0.42) CHRM3DPP4CCNE1CDK2GSK3B
SCHEMBL28493616 0.89 EPHX1 (0.39) DPP4CCNE1CDK2L3MBTL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245599-B Novel 4-amino-4-oxobutanoyl peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS INC 2014-05-14 CN claimed
CN-103402997-A Diaminopyrimidine derivatives and process for preparing same YUHAN INC 2013-11-20 CN claimed
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF YA THERAPEUTICS INC (CN) 2024-06-13 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
EP-3381896-B1 BIPHENYL COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-01-18 EP disclosed
EP-3999498-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2022-05-25 EP disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
EP-3409672-B1 PARAZOLE CONDENSED-RING DERIVATIVES AND PREPARATION METHOD THEREOF AND APPLICATION THEREOF IN TREATMENT OF CANCERS, INFLAMMATION AND IMMUNE DISEASES BEIJING INNOCARE PHARMA TECH CO LTD (CN) 2021-12-08 EP disclosed
US-11059825-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2021-07-13 US disclosed
WO-2021011796-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. (US) 2021-01-21 WO disclosed
US-10723742-B2 Biphenyl compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-07-28 US disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
CN-101039672-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2007-09-19 CN disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof TOYAMA CHEMICAL CO., LTD. (JP) 2006-09-14 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1614419-A1 PREVENTIVE/REMEDY FOR RETINAL NERVE DISEASES CONTAINING ALKYL ETHER DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2006-01-11 EP disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (9 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-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CHRM3 2337/4885DPP4 4105/4885CCNE1 361/4885
US-10723742-B2 Biphenyl compound or salt thereof KDM1B, BMI1, HDAC1 CHRM3 4741/4885DPP4 2612/4885CCNE1 3168/4885
US-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 CHRM3 153/4885DPP4 4424/4885CCNE1 860/4885
US-20060205709-A1 Preventive/remedy for retinal nerve diseases containing alkyl ether derivatives or salts thereof RB1, ALDH1A2, NR2E3 CHRM3 591/4885DPP4 1780/4885CCNE1 1464/4885
US-11059825-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20240190864-A1 Bruton's Tyrosine Kinase (BTK) INHIBITOR AND APPLICATION THEREOF BTK, SYK, LYN CHRM3 4307/4885DPP4 3288/4885CCNE1 2145/4885
US-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A CHRM3 2607/4885DPP4 1128/4885CCNE1 1183/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 CHRM3 618/4885DPP4 1996/4885CCNE1 3775/4885

“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.