SCHEMBL3308562

SCHEMBL3308562

CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCCO)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
SYK P43405 1/20 0.43
CCR2 P41597 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 2/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
PDE4B Q07343 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL3308567 1.00 CPB1 (0.54) CPB1ALDH1A1GAATSHRITGB3
SCHEMBL13619016 0.92 CPB1 (0.52) CPB1ALDH1A1GAATSHRITGB3
SCHEMBL4267741 0.88 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4267743 0.88 CPB1 (0.53) CPB1ALDH1A1GAATSHRSYK
SCHEMBL3308469 0.87 CPB1 (0.55) CPB1ALDH1A1GAATSHRSYK
SCHEMBL3308465 0.87 CPB1 (0.55) CPB1ALDH1A1GAATSHRSYK
SCHEMBL10476662 0.87 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL1504068 0.87 ALDH1A1 (0.58) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4265690 0.86 CPB1 (0.55) CPB1ALDH1A1GAATSHRSYK
SCHEMBL4271202 0.85 TSHR (0.60) CPB1ALDH1A1GAATSHRSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 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 (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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL CPB1 507/4885ALDH1A1 3214/4885GAA 1144/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 CPB1 2282/4885ALDH1A1 3430/4885GAA 4757/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CPB1 2714/4885ALDH1A1 3454/4885GAA 4486/4885

“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.