SCHEMBL17079989

SCHEMBL17079989

O=C1C(c2ccccc2)CCN1c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.59
FPR2 P25090 2/20 0.49
FPR1 P21462 1/20 0.49
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP2 P08253 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL4721528 0.89 ROCK2 (0.62) ROCK2FPR2FPR1CHRM2CHRM4
SCHEMBL18083927 0.83 ROCK2 (0.64) ROCK2FPR2FPR1MEN1KMT2A
SCHEMBL17080069 0.81 ROCK2 (0.46) ROCK2FPR2FPR1CYP2C9CYP2C19
SCHEMBL17080107 0.81 FPR2 (0.46) ROCK2FPR2FPR1MEN1KMT2A
SCHEMBL17080007 0.81 ROCK2 (0.49) ROCK2FPR2FPR1MEN1KMT2A
SCHEMBL17080096 0.80 ROCK2 (0.49) ROCK2CHRM2CHRM4CHRM5CHRM1
SCHEMBL17080024 0.80 ROCK2 (0.47) ROCK2HDAC8HDAC6HDAC1
SCHEMBL9309143 0.79 ROCK2 (0.52) ROCK2CHRM2CHRM4CHRM5CHRM1
SCHEMBL17079976 0.79 ROCK2 (0.45) ROCK2FPR2HDAC6
SCHEMBL16914928 0.78 ROCK2 (0.50) ROCK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110049977-B Lactam, cyclic urea and carbamate and triazolone derivatives as potent and selective ROCK inhibitors 百时美施贵宝公司 2022-01-18 CN disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-04 US disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 EP disclosed
EP-3481816-B1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-24 EP disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 US disclosed
US-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-03 US disclosed
EP-3116877-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-01-18 EP disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 WO disclosed
WO-2015136463-A1 CHEMICAL COMPOUNDS ACTING AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-09-17 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-20190300510-A1 LACTAM, CYCLIC UREA AND CARBAMATE, AND TRIAZOLONE DERIVATIVES AS POTENT AND SELECTIVE ROCK INHIBITORS MYLK, ROCK1, ROCK2 ROCK2 3/4885FPR2 4495/4885FPR1 3806/4885
US-10730858-B2 Lactam, cyclic urea and carbamate, and triazolone derivatives as potent and selective rock inhibitors MYLK, ROCK1, MYLK2 ROCK2 7/4885FPR2 4416/4885FPR1 3317/4885

“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.