SCHEMBL17437952

SCHEMBL17437952

COC(=O)c1ccnn1CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.43
▸ PLAU P00749 1/20 0.43
▸ KLKB1 P03952 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ LMNA P02545 2/20 0.40
▸ CTSK P43235 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPBWR1 P48145 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GRM2 Q14416 1/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL17454407 0.84 NPBWR1 (0.36) LMNACTSKL3MBTL1MAPK1NPBWR1
SCHEMBL25447710 0.83 L3MBTL1 (0.41) LMNACTSKL3MBTL1NPC1RAB9A
SCHEMBL23135527 0.82 CCNE1 (0.44) CTSKL3MBTL1MAPK1NPC1RAB9A
SCHEMBL17437948 0.82 NOTUM (0.37) LMNACTSKL3MBTL1MAPK1NPBWR1
SCHEMBL20229598 0.81 CTSK (0.38) LMNACTSKL3MBTL1MAPK1NPC1
SCHEMBL22338728 0.81 KCNH2 (0.38) LMNACTSKL3MBTL1NPBWR1GRM2
SCHEMBL23188132 0.81 L3MBTL1 (0.42) LMNACTSKL3MBTL1MAPK1NPC1
SCHEMBL24937400 0.80 L3MBTL1 (0.56) F2PLAUKLKB1ELANELMNA
SCHEMBL7056151 0.80 F2 (0.48) F2PLAUKLKB1ELANEL3MBTL1
SCHEMBL7056155 0.80 F2 (0.48) F2PLAUKLKB1ELANEL3MBTL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12428430-B2 Oxabicyclo acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 — — US disclosed
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 — — CN disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 — — WO disclosed
WO-2023072096-A1 TETRAHYDROFURAN-CONTAINING POLYCYCLIC DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 优领医药科技(香港)有限公司 2023-05-04 — — WO disclosed
CN-116023367-A Tetrahydrofuran-containing polycyclic derivative, pharmaceutically acceptable salt thereof, and preparation method and application thereof 优领医药科技(香港)有限公司 2023-04-28 — — CN disclosed
EP-3853232-B1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2023-03-01 — — EP disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 — — US disclosed
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2021-10-14 — — US disclosed
EP-3853232-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 — — EP disclosed
CN-106817899-B Spiroheptane as ROCK inhibitor 百时美施贵宝公司 2021-03-09 — — CN disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
EP-3169682-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2017-05-24 — — EP disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
WO-2016010950-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 — — WO disclosed
WO-2016010950-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 — — 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 (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-12428430-B2 Oxabicyclo acids as LPA antagonists LPAR1, LPAR2, LPAR3 F2 2714/4885PLAU 601/4885KLKB1 1924/4885
US-20210317131-A1 OXABICYCLO ACIDS AS LPA ANTAGONISTS LPAR1, LPAR2, LPAR3 F2 2714/4885PLAU 601/4885KLKB1 1924/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 F2 3705/4885PLAU 4204/4885KLKB1 1563/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 F2 3705/4885PLAU 4204/4885KLKB1 1563/4885

“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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