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SCHEMBL3308465

SCHEMBL3308465

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 2/20 0.55
▸ TSHR P16473 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TACR1 P25103 2/20 0.43
▸ SYK P43405 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL3308469 1.00 CPB1 (0.55) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL4267741 0.91 CPB1 (0.53) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL4267743 0.91 CPB1 (0.53) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL3305456 0.90 TSHR (0.60) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL4271202 0.90 TSHR (0.60) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL10476662 0.89 ALDH1A1 (0.58) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL1504068 0.89 ALDH1A1 (0.58) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL13619016 0.89 CPB1 (0.52) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL4265690 0.89 CPB1 (0.55) CPB1TSHRALDH1A1GAAKMT2A
SCHEMBL714564 0.88 CPB1 (0.60) CPB1TSHRALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 507/4885TSHR 312/4885ALDH1A1 3214/4885
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 2282/4885TSHR 299/4885ALDH1A1 3430/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CPB1 2714/4885TSHR 186/4885ALDH1A1 3454/4885

“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.