SCHEMBL19150341

SCHEMBL19150341

NC(=O)c1cccnc1O[C@H]1CC[C@H](NC(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.49
▸ AR P10275 6/20 0.47
▸ LRRK2 Q5S007 1/20 0.45
▸ KMT2A Q03164 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ MCHR1 Q99705 1/20 0.42

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
SCHEMBL23889093 0.88 ROCK2 (0.46) ROCK2AR
SCHEMBL24247774 0.88 ROCK2 (0.51) ROCK2ARLRRK2
SCHEMBL19150339 0.87 ROCK2 (0.61) ROCK2
SCHEMBL19128884 0.87 ROCK2 (0.61) ROCK2
SCHEMBL19151191 0.85 ROCK2 (0.47) ROCK2ARLRRK2
SCHEMBL20646885 0.85 ROCK2 (0.50) ROCK2AR
SCHEMBL23889113 0.85 AR (0.44) ROCK2AR
SCHEMBL20647043 0.82 ROCK2 (0.43) ROCK2KMT2A
SCHEMBL19151240 0.82 ROCK2 (0.48) ROCK2ARLRRK2
SCHEMBL19147555 0.81 ROCK2 (0.52) ROCK2LRRK2

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
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
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
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO 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 ROCK2 5/4885AR 899/4885LRRK2 42/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ROCK2 5/4885AR 899/4885LRRK2 42/4885

“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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