SCHEMBL21490337

SCHEMBL21490337

O=C1N(c2ccc(Br)cc2)CCC12Cc1ccccc1C2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 3/20 0.42
EGLN1 Q9GZT9 8/20 0.41
LIPE Q05469 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL29443074 1.00 HDAC11 (0.42) HDAC11EGLN1LIPEKDM4EALDH1A1
SCHEMBL29443012 0.84 HDAC11 (0.38) HDAC11LIPEMAPTMEN1KMT2A
SCHEMBL21490366 0.84 HDAC11 (0.38) HDAC11LIPEMAPTMEN1KMT2A
SCHEMBL29443020 0.82 ROCK2 (0.44) LIPEALDH1A1
SCHEMBL21490362 0.82 ROCK2 (0.44) LIPEALDH1A1
SCHEMBL29348863 0.80 HRH3 (0.43) EGLN1LIPEITGB3ITGA2BHRH3
SCHEMBL22396051 0.77 HRH3 (0.43) EGLN1LIPEITGB3ITGA2BHRH3
SCHEMBL2476740 0.77 HRH3 (0.56) EGLN1LIPEMEN1KMT2AITGB3
SCHEMBL23529088 0.76 EGLN1 (0.56) EGLN1KDM4EALDH1A1MAPTHPGD
SCHEMBL24742790 0.76 EGLN1 (0.42) EGLN1LIPEMEN1KMT2AITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689639-B Spirolactams as ROCK inhibitors 百时美施贵宝公司 2022-02-18 CN disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
EP-3481817-B1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-10696674-B2 Spirolactams as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-30 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 US disclosed
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-10-24 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-10696674-B2 Spirolactams as inhibitors of ROCK MYLK, ROCK1, MYLK2 HDAC11 670/4885EGLN1 3972/4885LIPE 4528/4885
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 HDAC11 670/4885EGLN1 3972/4885LIPE 4528/4885

“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.