SCHEMBL17324751

SCHEMBL17324751

CC(=O)c1nn(CC(C)(C)O)c2ccc(F)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 9/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ PER2 O15055 5/20 0.40
▸ CRY1 Q16526 5/20 0.40
▸ CRY2 Q49AN0 5/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ ELANE P08246 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
SCHEMBL17324824 0.90 RBP4 (0.41) ARROCK1PER2CRY1CRY2
SCHEMBL15882312 0.90 KDM4C (0.44) ARROCK1PER2CRY1CRY2
SCHEMBL20229577 0.87 AR (0.41) ARROCK1PER2CRY1CRY2
SCHEMBL17321446 0.86 PER2 (0.41) ARROCK1PER2CRY1CRY2
SCHEMBL15897856 0.86 AR (0.43) ARROCK1PER2CRY1CRY2
SCHEMBL23889062 0.84 ELANE (0.40) ROCK1ELANE
SCHEMBL17454479 0.82 ROCK1 (0.49) ROCK1ELANE
SCHEMBL17324779 0.81 ROCK1 (0.48) ROCK1ELANE
SCHEMBL18967147 0.80 ICMT (0.40) ARPER2CRY2KDM4CELANE
SCHEMBL15898198 0.79 KMT2A (0.43) ARROCK1KDM4CP2RX7

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-12-10 — — 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-20150353505-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 AR 1584/4885ROCK1 3/4885PER2 2313/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA AR 899/4885ROCK1 1/4885PER2 3173/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA AR 899/4885ROCK1 1/4885PER2 3173/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 AR 356/4885ROCK1 1/4885PER2 2477/4885

“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.

Send feedback