SCHEMBL20646901

SCHEMBL20646901

NC(=O)c1ccc(Br)cc1OC1CCC(N)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.45
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44
SLC6A4 P31645 2/20 0.43
ROCK2 O75116 1/20 0.40

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
SCHEMBL23889124 1.00 DGAT1 (0.45) DGAT1MKNK1MKNK2SLC6A4ROCK2
SCHEMBL6446339 0.84 MKNK1 (0.58) DGAT1MKNK1MKNK2SLC6A4
SCHEMBL19128145 0.83 DGAT1 (0.43) DGAT1MKNK1MKNK2SLC6A4ROCK2
SCHEMBL20646841 0.81 PDE4B (0.48) MKNK1MKNK2ROCK2
SCHEMBL20646728 0.80 KCNH2 (0.53) MKNK1MKNK2ROCK2
SCHEMBL19151444 0.80 KCNH2 (0.53) MKNK1MKNK2ROCK2
SCHEMBL20563399 0.78 NR4A2 (0.48) SLC6A4
SCHEMBL23889011 0.77 PARP1 (0.43) SLC6A4
SCHEMBL23889009 0.77 PARP1 (0.43) SLC6A4
SCHEMBL23889013 0.77 PARP1 (0.43) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 EP disclosed
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-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

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

For each of this compound's patents that has machine-readable text (4 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 DGAT1 3820/4885MKNK1 455/4885MKNK2 858/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA DGAT1 3742/4885MKNK1 465/4885MKNK2 895/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA DGAT1 3742/4885MKNK1 465/4885MKNK2 895/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA DGAT1 3820/4885MKNK1 455/4885MKNK2 858/4885

“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.