SCHEMBL19902353

SCHEMBL19902353

CCC(=O)c1cc(C2CC2)nn1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.46
PSMB9 P28065 1/20 0.46
PSMB5 P28074 1/20 0.46
CACNA1H O95180 1/20 0.43
KCNT1 Q5JUK3 4/20 0.41
PDK1 Q15118 3/20 0.39
PDK2 Q15119 3/20 0.39
SMYD3 Q9H7B4 1/20 0.37
RAF1 P04049 2/20 0.35
BRAF P15056 2/20 0.35
RIPK1 Q13546 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
NTRK1 P04629 1/20 0.34
C5AR1 P21730 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
SCHEMBL17454397 0.81 PSMB8 (0.46) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL2215374 0.81 KDM4E (0.50) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL2363430 0.80 FAAH (0.49) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL4072006 0.80 PSMB8 (0.45) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL3065968 0.80 KCNT1 (0.46) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL17452576 0.77 PSMB8 (0.49) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL15273648 0.77 PSMB8 (0.46) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL8031275 0.75 PSMB8 (0.53) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL11899894 0.75 PSMB8 (0.50) PSMB8PSMB9PSMB5CACNA1HKCNT1
SCHEMBL17162239 0.75 FAAH (0.50) PSMB8PSMB9PSMB5

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-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-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-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA PSMB8 3467/4885PSMB9 3912/4885PSMB5 3158/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA PSMB8 3467/4885PSMB9 3912/4885PSMB5 3158/4885

“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.