SCHEMBL18048609

SCHEMBL18048609

CC(C)(C)[Si](C)(C)OCC1CN(c2ccc(Br)cc2)C(=O)C1Br

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 2/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ TOP2A P11388 4/20 0.31
▸ POLB P06746 1/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL18083925 0.79 ROCK2 (0.34) ROCK2ACHECYP3A4CYP2C19MEN1
SCHEMBL17913009 0.77 DUT (0.35) DUTROCK2CYP3A4CYP2C19ALDH1A1
SCHEMBL18048667 0.77 RXFP1 (0.40) ALDH1A1MEN1KMT2APOLBRXFP1
SCHEMBL17913007 0.77 DUT (0.35) DUTROCK2CYP3A4CYP2C19ALDH1A1
SCHEMBL20924961 0.77 DUT (0.30) DUT
SCHEMBL18048704 0.76 ROCK2 (0.54) ROCK2ALDH1A1MEN1KMT2APOLB
SCHEMBL18048783 0.69 MAPT (0.37) ACHECYP3A4CYP2C19ALDH1A1MEN1
SCHEMBL22804815 0.68 EPHA2 (0.34) MEN1KMT2A
SCHEMBL22582347 0.68 DRD2 (0.42) DUT
SCHEMBL3328338 0.66 GRM2 (0.47) —

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
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 — — EP disclosed
EP-3268360-B1 LACTAMS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-04-24 — — EP disclosed
US-10112929-B2 Lactams as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 — — US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 — — US disclosed
US-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMAPANY (US) 2018-02-15 — — US disclosed
EP-3268360-A1 LACTAMS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-01-17 — — EP disclosed
WO-2016144936-A1 LACTAMS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-15 — — 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA DUT 3861/4885ROCK2 4/4885ACHE 620/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA DUT 3859/4885ROCK2 4/4885ACHE 752/4885

“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.

Send feedback