SCHEMBL21490366

SCHEMBL21490366

O=C1N(c2ccc(Br)cc2)CCC12Cc1ccc(F)cc1C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 4/20 0.38
MAPT P10636 3/20 0.37
DOCK5 Q9H7D0 1/20 0.36
METAP2 P50579 3/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
FPR2 P25090 1/20 0.34
OTUD7B Q6GQQ9 1/20 0.34
CXCR3 P49682 1/20 0.34
EBP Q15125 1/20 0.33
LIPE Q05469 1/20 0.33
AVPR1A P37288 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
SCHEMBL29443012 1.00 HDAC11 (0.38) HDAC11MAPTDOCK5METAP2MEN1
SCHEMBL29443074 0.84 HDAC11 (0.42) HDAC11MAPTMEN1KMT2ALIPE
SCHEMBL21490337 0.84 HDAC11 (0.42) HDAC11MAPTMEN1KMT2ALIPE
SCHEMBL21490362 0.82 ROCK2 (0.44) OTUD7BLIPEAVPR1A
SCHEMBL29443020 0.82 ROCK2 (0.44) OTUD7BLIPEAVPR1A
SCHEMBL21084133 0.79 HDAC11 (0.47) HDAC11METAP2
SCHEMBL21084147 0.79 HDAC11 (0.47) HDAC11METAP2
SCHEMBL22355673 0.79 ITGB3 (0.38) HDAC11DOCK5METAP2LIPE
SCHEMBL21490367 0.79 ROCK2 (0.49)
SCHEMBL29442925 0.79 ROCK2 (0.49)

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-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 670/4885MAPT 114/4885DOCK5 310/4885
US-20190322664-A1 SPIROLACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, MYLK2 HDAC11 670/4885MAPT 114/4885DOCK5 310/4885

“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.