SCHEMBL18048847

SCHEMBL18048847

O=C1[C@H](O)CCN1c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.50
FPR2 P25090 3/20 0.48
FPR1 P21462 1/20 0.47
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 1/20 0.42
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL5846834 1.00 ROCK2 (0.50) ROCK2FPR2FPR1ALDH1A1RXFP1
SCHEMBL18048717 1.00 ROCK2 (0.50) ROCK2FPR2FPR1ALDH1A1RXFP1
SCHEMBL4487629 0.90 ROCK2 (0.45) ROCK2FPR2FPR1ALDH1A1RXFP1
SCHEMBL4847013 0.84 DDB1 (0.43) ROCK2FPR2ALDH1A1CCNA2CDK2
SCHEMBL16422794 0.82 FPR2 (0.48) ROCK2FPR2ALDH1A1CCNA2CDK2
SCHEMBL3083319 0.81 MEN1 (0.50) ROCK2FPR2FPR1ALDH1A1HDAC1
SCHEMBL826412 0.81 MEN1 (0.50) ROCK2FPR2FPR1ALDH1A1HDAC1
SCHEMBL826237 0.81 MEN1 (0.50) ROCK2FPR2FPR1ALDH1A1HDAC1
SCHEMBL31334837 0.80 ATM (0.52) ROCK2FPR2FPR1ALDH1A1HDAC1
SCHEMBL16468325 0.80 ROCK2 (0.48) ROCK2FPR2FPR1ALDH1A1RXFP1

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 8 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
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 ROCK2 4/4885FPR2 2407/4885FPR1 1639/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA ROCK2 4/4885FPR2 2444/4885FPR1 1686/4885

“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.