SCHEMBL17437928

SCHEMBL17437928

COC(=O)c1cnn2c(C3CC3)c(O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 2/20 0.49
▸ HTR2C P28335 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ KEAP1 Q14145 1/20 0.38

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
SCHEMBL25583491 0.86 SPR (0.49) SPRHTR2CPLATKDM4EALDH1A1
SCHEMBL23587233 0.85 SPR (0.48) SPRHTR2CPLATKDM4EALDH1A1
SCHEMBL17454490 0.85 KEAP1 (0.40) SPRPLATKDM4EALDH1A1GAA
SCHEMBL20229595 0.81 PLAT (0.43) SPRPLATKDM4EALDH1A1HSD17B10
SCHEMBL17452657 0.81 KEAP1 (0.38) SPRPLATKDM4EALDH1A1HSD17B10
SCHEMBL19128840 0.80 SPR (0.45) SPRHTR2CPLATKDM4EALDH1A1
SCHEMBL17437961 0.79 SPR (0.44) SPRKDM4EALDH1A1TSHRHSD17B10
SCHEMBL19127292 0.78 SPR (0.43) SPRHTR2CPLATKDM4EALDH1A1
SCHEMBL17454441 0.78 SPR (0.43) SPRKDM4EALDH1A1TSHRHSD17B10
SCHEMBL23888976 0.78 PLAT (0.49) SPRHTR2CPLATKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110869363-B 5-membered and bicyclic heterocyclic amides as ROCK inhibitors 百时美施贵宝公司 2024-01-05 — — CN disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2022-11-10 — — US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 — — 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
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO 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-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK MYLK, ROCK1, ROCK2 SPR 2109/4885HTR2C 2598/4885PLAT 1775/4885
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock MYLK, ROCK1, ROCK2 SPR 2006/4885HTR2C 2658/4885PLAT 1670/4885
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 SPR 2109/4885HTR2C 2598/4885PLAT 1775/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 SPR 715/4885HTR2C 2653/4885PLAT 2610/4885

“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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