SCHEMBL17452661

SCHEMBL17452661

CC(C)C(=O)c1cnn2cc(OC(CF)CF)ccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HAT1 O14929 12/20 0.35
▸ EP300 Q09472 12/20 0.35
▸ PLA2G4A P47712 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CSK P41240 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ EPHB3 P54753 1/20 0.32
▸ ROCK2 O75116 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL17454343 0.89 LCK (0.36) LCKCSKHTR2AHTR2CEPHB3
SCHEMBL17452615 0.86 EPHB3 (0.34) HAT1EP300PLA2G4AEPHB3ROCK2
SCHEMBL17437837 0.85 LCK (0.36) LCKCSKEPHB3ROCK2
SCHEMBL17321419 0.82 EIF4A3 (0.41) HAT1EP300LCKCSKEPHB3
SCHEMBL17452614 0.81 ROCK2 (0.46) HAT1EP300PLA2G4AHTR2AHTR2C
SCHEMBL23889125 0.79 ROCK2 (0.36) PLA2G4AROCK2JAK2JAK1TYK2
SCHEMBL20646896 0.79 HAT1 (0.38) HAT1EP300PLA2G4AROCK2
SCHEMBL20647180 0.79 HAT1 (0.38) HAT1EP300PLA2G4AROCK2
SCHEMBL17321452 0.78 PDE2A (0.39) HAT1EP300HTR2AROCK2
SCHEMBL17452665 0.78 ROCK2 (0.49) PLA2G4AROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — 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 (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-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 HAT1 3907/4885EP300 4159/4885PLA2G4A 1638/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 HAT1 3907/4885EP300 4159/4885PLA2G4A 1638/4885

“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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