SCHEMBL17452634

SCHEMBL17452634

CC(C)C(=O)c1cnn2cc(OCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 3/20 0.43
P4HTM Q9NXG6 1/20 0.43
EPHB3 P54753 1/20 0.43
SRD5A2 P31213 1/20 0.42
MAOB P27338 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL17454404 0.88 MAOB (0.54) ALKBH1P4HTMEPHB3SRD5A2MAOB
SCHEMBL17437917 0.87 ALKBH1 (0.53) ALKBH1P4HTMEPHB3SRD5A2MAOB
SCHEMBL19902366 0.85 MAPT (0.46) ALKBH1P4HTMEPHB3SRD5A2MAOB
SCHEMBL1324201 0.85 EPHB3 (0.46) ALKBH1P4HTMEPHB3SRD5A2MAOB
SCHEMBL23889125 0.82 ROCK2 (0.36)
SCHEMBL20647180 0.82 HAT1 (0.38) LMNA
SCHEMBL20646896 0.82 HAT1 (0.38) LMNA
SCHEMBL17321452 0.81 PDE2A (0.39)
SCHEMBL17452614 0.81 ROCK2 (0.46)
SCHEMBL17452734 0.81 HAT1 (0.42)

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 ALKBH1 3389/4885P4HTM 3285/4885EPHB3 1833/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 ALKBH1 3389/4885P4HTM 3285/4885EPHB3 1833/4885

“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.