SCHEMBL17206298

SCHEMBL17206298

CCOC(=O)c1ccc(NC(=O)OCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.58
▸ MAPT P10636 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 1/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47

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
SCHEMBL17202799 0.87 EPHX2 (0.48) ATMMAPTMAPK1RAB9AALDH1A1
Lithium Ion SCHEMBL18490923 0.86 EPHX2 (0.47) ATMMAPTALDH1A1
SCHEMBL32660726 0.85 ALDH1A1 (0.70) ATMMAPTNPSR1MAPK1RAB9A
SCHEMBL14467294 0.81 ALDH1A1 (0.66) ATMMAPTNPSR1MAPK1RAB9A
SCHEMBL17203124 0.80 SMN1; SMN2 (0.67) ATMMAPTNPSR1MAPK1RAB9A
SCHEMBL24317392 0.79 MAPK1 (0.57) ATMMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL26814997 0.78 ALDH1A1 (0.56) ATMMAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL273218 0.78 PDK1 (0.60) MAPTNPSR1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL27444507 0.77 MAPT (0.73) ATMMAPTNPSR1MAPK1RAB9A
SCHEMBL1742370 0.76 SMN1; SMN2 (0.60) ATMMAPTNPSR1MAPK1SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 — — EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 — — US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 — — EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 — — US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 — — WO 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-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI ATM 1476/4885MAPT 3611/4885NPSR1 3358/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 ATM 1457/4885MAPT 3721/4885NPSR1 3057/4885

“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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