SCHEMBL3304990

SCHEMBL3304990

CC(C)(C)OC(=O)NN(C(=O)OCc1ccccc1)C1CCC(N2CCOC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.40
▸ NAAA Q02083 2/20 0.39
▸ AKT1 P31749 3/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCR5 P51681 3/20 0.37
▸ FAAH O00519 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ FKBP1A P62942 1/20 0.35

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
SCHEMBL3305246 0.82 CTSL (0.42) CTSLAKT1KMT2AL3MBTL1CCR5
SCHEMBL18952059 0.80 CTSL (0.48) CTSLAKT1KMT2AL3MBTL1SYK
SCHEMBL3304983 0.78 CPB1 (0.45) CTSLNAAAKMT2AL3MBTL1SYK
SCHEMBL3304986 0.78 CPB1 (0.45) CTSLNAAAKMT2AL3MBTL1SYK
SCHEMBL713912 0.78 CYP3A4 (0.43) CTSLAKT1KMT2AL3MBTL1SYK
SCHEMBL4267749 0.78 CTSL (0.43) CTSLAKT1KMT2ASYKCTSB
SCHEMBL3306405 0.77 AKT1 (0.41) CTSLAKT1KMT2AL3MBTL1SYK
SCHEMBL3308473 0.77 AKT1 (0.41) CTSLAKT1KMT2ASYKCTSB
SCHEMBL21227837 0.75 ALDH1A1 (0.58) CTSLNAAAKMT2ACTSBCTSK
SCHEMBL3308574 0.75 HTT (0.41) CTSLAKT1KMT2ASYKCTSB

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 CTSL 1845/4885NAAA 1559/4885AKT1 3752/4885
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 CTSL 2388/4885NAAA 1361/4885AKT1 3464/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 CTSL 2729/4885NAAA 2353/4885AKT1 3314/4885

“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.

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