SCHEMBL19902549

SCHEMBL19902549

CCC(=O)c1cnn2cc(N3CCC(F)(F)C3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
AXL P30530 2/20 0.38
HDAC4 P56524 1/20 0.36
ROCK2 O75116 3/20 0.36
SYK P43405 2/20 0.36
CNR2 P34972 2/20 0.35
JAK2 O60674 1/20 0.34
SPR P35270 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.33
IDH1 O75874 1/20 0.33
SLC27A1 Q6PCB7 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX5AP P20292 1/20 0.33
CACNA1H O95180 1/20 0.33

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
SCHEMBL23889078 0.93 ROCK2 (0.39) METAXLROCK2SYKSLC27A1
SCHEMBL19902678 0.91 ROCK2 (0.38) METAXLROCK2SPRSLC27A1
SCHEMBL17454406 0.89 HDAC4 (0.41) METAXLHDAC4ROCK2SYK
SCHEMBL17437821 0.86 HDAC4 (0.41) METAXLHDAC4ROCK2SYK
SCHEMBL17452623 0.85 MET (0.38) METAXLHDAC4ROCK2SYK
SCHEMBL19902388 0.82 HTT (0.44) ROCK2SLC27A1KCNH2
SCHEMBL17454333 0.81 ROCK2 (0.39) METAXLROCK2SYK
SCHEMBL23889087 0.81 ROCK2 (0.43) ROCK2SLC27A1KCNH2
SCHEMBL19902576 0.80 ROCK2 (0.48) ROCK2
SCHEMBL19902550 0.79 ROCK2 (0.36) ROCK2IRAK4SLC27A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MET 3194/4885AXL 4217/4885HDAC4 1278/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MET 3194/4885AXL 4217/4885HDAC4 1278/4885

“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.