SCHEMBL1987516

SCHEMBL1987516

CN1CCN(c2cc(-c3ccc(NC(=O)C4COc5ccccc5O4)cc3)ccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.64
AKT1 P31749 2/20 0.64
NPC1 O15118 7/20 0.57
RAB9A P51151 7/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.54
ROCK1 Q13464 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 4/20 0.51
MAPT P10636 5/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL1987500 1.00 ROCK2 (0.64) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1989271 0.88 MAPT (0.51) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1989278 0.88 MAPT (0.51) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1986254 0.83 ROCK2 (0.74) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1986253 0.83 ROCK2 (0.74) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1988406 0.79 ROCK2 (1.00) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1986233 0.79 ROCK2 (1.00) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1985954 0.76 ROCK2 (0.69) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1992425 0.72 ROCK2 (0.76) ROCK2AKT1NPC1RAB9AL3MBTL1
SCHEMBL1989017 0.71 ROCK2 (0.65) ROCK2AKT1NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2011-06-23 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 (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-20110150833-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS ROCK1, RHOA, RHOT2 ROCK2 4/4885AKT1 31/4885NPC1 3662/4885

“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.