SCHEMBL29122007

SCHEMBL29122007

OCc1nn(CC2CCOC2)c2ccc(Br)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
ROCK1 Q13464 6/20 0.39
MAPT P10636 2/20 0.39
TDO2 P48775 2/20 0.38
ROCK2 O75116 2/20 0.37
MAPK1 P28482 2/20 0.36
SLC2A1 P11166 1/20 0.36
SLC2A2 P11168 1/20 0.36
SLC2A3 P11169 1/20 0.36
PIK3CA P42336 2/20 0.34
AKR1B1 P15121 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
MAPK8 P45983 1/20 0.32

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
SCHEMBL29344584 0.88 CNR1 (0.39) CNR1CNR2ROCK1MAPTTDO2
SCHEMBL23218779 0.86 MAPT (0.39) CNR1CNR2MAPTMAPK1SLC2A1
SCHEMBL29121814 0.84 MAPK8 (0.42) CNR1CNR2MAPTMAPK1AKR1B1
SCHEMBL29121652 0.81 KDM4C (0.39) CNR1CNR2MAPTMAPK1PIK3CA
SCHEMBL29122103 0.81 KDM4C (0.39) CNR1CNR2MAPTMAPK1PIK3CA
SCHEMBL29122475 0.81 KDM4C (0.39) CNR1CNR2MAPTMAPK1PIK3CA
SCHEMBL29122680 0.81 ELANE (0.48) CNR1CNR2ROCK1ROCK2SLC2A1
SCHEMBL30676470 0.81 ELANE (0.48) CNR1CNR2ROCK1ROCK2SLC2A1
SCHEMBL29122605 0.77 KDM4C (0.40) CNR1CNR2MAPTMAPK1PIK3CA
SCHEMBL29121613 0.76 CNR2 (0.39) CNR1CNR2MAPTMAPK1ALDH1A1

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN 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 (1 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 CNR1 4787/4885CNR2 4730/4885ROCK1 3870/4885

“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.