SCHEMBL19902547

SCHEMBL19902547

O=C(CC1CCC(c2n[nH]c(=O)c3ccccc23)CC1)N1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 14/20 0.56
ROCK2 O75116 4/20 0.56
TSHR P16473 2/20 0.45
MAPT P10636 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL17437873 0.87 ROCK1 (0.54) ROCK1ROCK2TSHRMAPTMEN1
SCHEMBL19902378 0.85 TSHR (0.62) ROCK1ROCK2TSHRMAPTKMT2A
SCHEMBL19902337 0.82 NPC1 (0.57) ROCK1ROCK2TSHRMAPTLMNA
SCHEMBL19902542 0.78 LMNA (0.49) ROCK1ROCK2KMT2ALMNA
SCHEMBL17437844 0.76 ROCK1 (0.49) ROCK1ROCK2TSHRMAPTKMT2A
SCHEMBL19902523 0.74 ROCK1 (0.44) ROCK1ROCK2KMT2ALMNARAB9A
SCHEMBL17452599 0.74 ROCK2 (0.54) ROCK1ROCK2TSHRMAPTLMNA
SCHEMBL1789261 0.73 ATM (0.50) ROCK1ROCK2MAPTLMNAALDH1A1
SCHEMBL17311750 0.72 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL20229844 0.72 ROCK1 (0.45) ROCK1ROCK2TSHRMEN1KMT2A

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 ROCK1 1/4885ROCK2 3/4885TSHR 1625/4885

“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.