SCHEMBL295484

SCHEMBL295484

CC1CC1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
NR1H2 P55055 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
DGAT1 O75907 1/20 0.34
BTK Q06187 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRNB3 Q05901 4/20 0.33
CHRNA6 Q15825 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 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
SCHEMBL18828485 1.00 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL18346713 1.00 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL19134374 1.00 MAPK1 (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL3148606 0.90 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL1298054 0.90 MAPK1 (0.41) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL15268369 0.87 MAPK1 (0.39) MAPK1CHRM2CHRM1CHRM3NR1H2
SCHEMBL29358607 0.82 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL30718013 0.82 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL910314 0.82 MAPK1 (0.36) MAPK1CHRM2CHRM1CHRM3HRH3
SCHEMBL25245251 0.81 BTK (0.43) MAPK1CHRM2CHRM1CHRM3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024411-A Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-11-10 CN disclosed
CN-110709392-B Isoquinoline as HPK1 inhibitor 豪夫迈·罗氏有限公司 2023-09-29 CN disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
EP-1683783-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1683782-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2012-03-14 EP disclosed
EP-1120402-B1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO (JP) 2008-06-25 EP disclosed
EP-1683782-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
EP-1683783-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed
US-7009079-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-07 US disclosed
US-20050090684-A1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL CO., LTD. 2005-04-28 US disclosed
US-6670500-B2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-30 US disclosed
US-6469198-B2 OBTAINED BY CONTACTING N-SALICYLIDENEAMINOALCOHOL WITH MONO OR DIVALENT COPPER COMPOUND; FORMATION OF OPTICALLY ACTIVE CYCLOPROPANE-CARBOXYLIC ESTER FROM PROCHIRAL OLEFIN AND DIAZOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
US-20020004618-A1 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-10 US disclosed
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-11-01 US disclosed
EP-1120402-A2 Chiral copper complex and production processes thereof and using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 EP disclosed
EP-1120401-A2 Chiral copper complex catalyst composition and asymmetric production process using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-01 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 (3 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-20050090684-A1 Chiral copper complex and production processes thereof and using the same SOD1, CYP1A1, NFXL1 MAPK1 911/4885CHRM2 902/4885CHRM1 464/4885
US-20010037036-A1 Chiral copper complex catalyst composition and asymmetric production process using the same AP1M1, UBA3, AP1S1 MAPK1 1023/4885CHRM2 2258/4885CHRM1 1048/4885
US-20020004618-A1 Chiral copper complex and production processes thereof and using the same SOD1, XDH, NFXL1 MAPK1 663/4885CHRM2 1753/4885CHRM1 721/4885

“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.