SCHEMBL17437909

SCHEMBL17437909

COC(=O)c1cnn2c(Br)c(OCc3ccccc3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 5/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ SMPD1 P17405 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ NOTUM Q6P988 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ LRRK2 Q5S007 4/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CCR5 P51681 1/20 0.40

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
SCHEMBL17437984 0.87 MAPT (0.44) SMPD1HDAC1HDAC8HDAC6TDP1
SCHEMBL17437885 0.87 NOTUM (0.43) SMPD1HDAC1HDAC8HDAC6TDP1
SCHEMBL17452530 0.86 HTR1A (0.42) SMPD1HDAC1HDAC8HDAC6L3MBTL1
SCHEMBL20654240 0.86 CCR5 (0.40) PTGER1CYP1A2SMPD1HDAC1HDAC8
SCHEMBL19150117 0.83 MAPT (0.40) SMPD1HDAC1HDAC8HDAC6TDP1
SCHEMBL17437848 0.83 KDM4E (0.45) SMPD1HDAC1HDAC8HDAC6NOTUM
SCHEMBL17437835 0.83 XDH (0.42) SMPD1HDAC1HDAC8HDAC6TDP1
SCHEMBL17437971 0.82 MEN1 (0.40) SMPD1HDAC1HDAC8HDAC6TDP1
SCHEMBL17437959 0.82 PRMT5 (0.45) NOTUMLRRK2
SCHEMBL19128881 0.82 KMT2A (0.37) CYP1A2LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3652168-B1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-06-30 — — EP 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 PTGER1 123/4885CYP1A2 2228/4885SMPD1 588/4885
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock MYLK, ROCK1, ROCK2 PTGER1 107/4885CYP1A2 1964/4885SMPD1 617/4885
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 PTGER1 123/4885CYP1A2 2228/4885SMPD1 588/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PTGER1 32/4885CYP1A2 915/4885SMPD1 822/4885

“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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