SCHEMBL2857891

SCHEMBL2857891

COC(CNC(=O)NC1CCN(C(=O)OCc2ccccc2)CC1)OC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ CYP2C19 P33261 1/20 0.52
▸ MAPK8 P45983 1/20 0.50
▸ ENPP2 Q13822 2/20 0.48
▸ GRIN2B Q13224 3/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ EPHX1 P07099 1/20 0.45

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
SCHEMBL23243031 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL1912329 0.83 KMT2A (0.57) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL7137790 0.82 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL6964208 0.81 KMT2A (0.65) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9241437 0.80 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL20211914 0.78 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL4905137 0.78 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL13451503 0.78 KMT2A (0.73) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL9239522 0.78 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9AHTTKMT2A
SCHEMBL27417332 0.78 SMN1; SMN2 (0.70) SMN1; SMN2NPC1RAB9AHTTKMT2A

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-2208726-B1 Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL (JP) 2014-08-20 — — EP disclosed
US-8697865-B2 Cyclic amide derivative, and its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 — — US disclosed
CN-102093285-B Cyclic amide derivatives, and their production and use as antithrombotic agents TAKEDA PHARMACEUTICAL 2013-10-16 — — CN disclosed
EP-2208726-A1 Cyclic amide derivatives, and their production and use as antithrombotic agents Takeda Pharmaceutical Company Limited (JP) 2010-07-21 — — EP disclosed
US-7745623-B2 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-29 — — US disclosed
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 — — US disclosed
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 — — US disclosed
US-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-16 — — US disclosed
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis TAKEDA PHARMACEUTICAL COMPANY (JP) 2007-10-18 — — 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 (4 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-20080255352-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 SMN1; SMN2 2741/4885NPC1 1978/4885RAB9A 4054/4885
US-20100160629-A1 CYCLIC AMIDE DERIVATIVE, AND ITS PRODUCTION AND USE CNR1, CNR2, ARG1 SMN1; SMN2 2828/4885NPC1 2632/4885RAB9A 3969/4885
US-20070244118-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, CNR2 SMN1; SMN2 2655/4885NPC1 1762/4885RAB9A 3896/4885
US-20080255362-A1 1'-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}-1,4'-bipiperidin-2-one or salts, useful as a drug for treating thrombosis JAK2, CNR1, F2 SMN1; SMN2 2741/4885NPC1 1978/4885RAB9A 4054/4885

“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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