SCHEMBL4267059

SCHEMBL4267059

CN(C)C(=O)[C@H]1CCCC(N(NC(=O)C=Cc2ccc(Cl)cn2)C(=O)OC(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
F11 P03951 1/20 0.32
VNN1 O95497 1/20 0.31
TRPA1 O75762 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
KDM1A O60341 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4268496 0.88 KDM1A (0.39) L3MBTL1NR1H4KDM1ANPC1RAB9A
SCHEMBL715127 0.82 L3MBTL1 (0.43) L3MBTL1VNN1NPC1RAB9A
SCHEMBL368516 0.82 L3MBTL1 (0.43) L3MBTL1VNN1NPC1RAB9A
SCHEMBL4260523 0.80 L3MBTL1 (0.41) L3MBTL1VNN1NPC1RAB9A
SCHEMBL4267062 0.77 F10 (0.40) TRPA1
SCHEMBL4267054 0.77 F10 (0.40) TRPA1
SCHEMBL4265707 0.77 VNN1 (0.30) VNN1
SCHEMBL4261909 0.76 KMT2A (0.34) L3MBTL1NPC1
SCHEMBL4270376 0.76 POLB (0.43) NPC1RAB9A
SCHEMBL4270734 0.76 F10 (0.45)

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 L3MBTL1 985/4885F11 15/4885VNN1 2366/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 L3MBTL1 1605/4885F11 297/4885VNN1 2882/4885

“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.