SCHEMBL4267730

SCHEMBL4267730

COCC(=O)N1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
F10 P00742 3/20 0.39
TDO2 P48775 2/20 0.38
F2 P00734 1/20 0.38
F5 P12259 1/20 0.38
CCR1 P32246 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
USP30 Q70CQ3 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 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
SCHEMBL4267724 1.00 IDO1 (0.39) IDO1F10TDO2F2F5
SCHEMBL4269421 0.92 IDO1 (0.38) IDO1F10TDO2F2F5
SCHEMBL4269427 0.92 IDO1 (0.38) IDO1F10TDO2F2F5
SCHEMBL4266525 0.90 POLB (0.37) SMN1; SMN2FPR2TSHRALDH1A1
SCHEMBL4266519 0.90 POLB (0.37) SMN1; SMN2FPR2TSHRALDH1A1
SCHEMBL206636 0.90 IDO1 (0.41) IDO1F10TDO2F2F5
SCHEMBL1503901 0.89 F10 (0.43) IDO1F10TDO2F2F5
SCHEMBL210778 0.89 IDO1 (0.42) IDO1F10TDO2F2F5
SCHEMBL207922 0.87 ALDH1A1 (0.44) IDO1F10TDO2CCR1L3MBTL1
SCHEMBL4268432 0.87 EPHX2 (0.40) IDO1F10CCR1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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 IDO1 2594/4885F10 9/4885TDO2 2021/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 IDO1 2703/4885F10 127/4885TDO2 2569/4885

“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.