SCHEMBL14301511

SCHEMBL14301511

COc1ccc(N2CCC(N)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
HTR2C P28335 1/20 0.46
HSD11B1 P28845 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.45
MCHR1 Q99705 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL28950551 0.83 POLB (0.51) HSD11B1MAPTALDH1A1POLBNPC1
SCHEMBL28950554 0.83 POLB (0.51) HSD11B1MAPTALDH1A1POLBNPC1
SCHEMBL14301512 0.83 ROCK2 (0.53) ROCK2MAPTMCHR1KMT2AMGLL
SCHEMBL19327276 0.82 ROCK2 (0.48) ROCK2HTR2CHSD11B1MAPTALDH1A1
SCHEMBL22365570 0.82 ROCK2 (0.48) ROCK2HTR2CHSD11B1MAPTALDH1A1
SCHEMBL4333242 0.81 HTT (0.47) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL14275584 0.81 HTT (0.47) MAPTALDH1A1NPC1RAB9APKM
SCHEMBL10691676 0.79 HTR2C (0.60) ROCK2HTR2CHSD11B1MAPTALDH1A1
SCHEMBL29009170 0.79 ALDH1A1 (0.53) ROCK2HTR2CHSD11B1MAPTALDH1A1
SCHEMBL22365585 0.78 ROCK2 (0.47) ROCK2HTR2CHSD11B1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 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-20180044326-A1 LACTAMS AS INHIBITORS OF ROCK MYLK, ROCK1, RHOA ROCK2 4/4885HTR2C 4070/4885HSD11B1 703/4885
US-10112929-B2 Lactams as inhibitors of rock MYLK, ROCK1, RHOA ROCK2 4/4885HTR2C 4140/4885HSD11B1 674/4885

“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.