SCHEMBL376160

SCHEMBL376160

CC(C)(C)OC(=O)OC(=O)[C@]1(OCc2ccccc2)CCCN1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CTSL P07711 1/20 0.34
SYK P43405 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PPARA Q07869 1/20 0.33
KLK7 P49862 1/20 0.32
TACR1 P25103 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 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
SCHEMBL28509253 0.87 PPIA (0.41)
SCHEMBL11435272 0.86 DDB1 (0.41) DDB1CRBNL3MBTL1
SCHEMBL5635258 0.84 ALDH1A1 (0.42) DDB1CRBNCTSL
SCHEMBL1260702 0.83 GRM5 (0.33) OPRD1OPRK1
SCHEMBL14343367 0.82 P4HB (0.32)
SCHEMBL1162626 0.80
SCHEMBL8126802 0.80 DDB1 (0.40) DDB1CRBNL3MBTL1TACR1
SCHEMBL6737982 0.80 DDB1 (0.40) DDB1CRBNL3MBTL1TACR1
SCHEMBL7379886 0.79 HRH3 (0.46) TACR1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5862748 0.79 DDB1 (0.39) DDB1CRBNL3MBTL1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374794-B1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO CO LTD (JP) 2015-11-04 EP disclosed
CN-102307852-B Cyclic amine compounds DAIICHI SANKYO CO LTD 2013-12-18 CN disclosed
US-8173631-B2 Cyclic amine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-05-08 US disclosed
EP-2079743-B1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD (GB) 2012-01-25 EP disclosed
US-20110319468-A1 CYCLIC AMINE COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-29 US disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 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 (2 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-20110319468-A1 CYCLIC AMINE COMPOUNDS RYR2, CASR, RYR1 AKT1 1953/4885DDB1 4618/4885CRBN 3621/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 AKT1 512/4885DDB1 1035/4885CRBN 3069/4885

“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.