SCHEMBL448864

SCHEMBL448864

[CH]1Nc2ccccc2CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
PLAU P00749 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR2C P28335 1/20 0.33
AHR P35869 1/20 0.32
PDK2 Q15119 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
SCHEMBL924774 0.78 PLAU (0.42) NPC1PLAUMAPK13MAPK12MAPK11
SCHEMBL4489100 0.70 NPC1 (0.42) NPC1PLAUMAPK13MAPK12MAPK11
SCHEMBL20477944 0.67 NPC1 (0.43) NPC1PLAUMAPK13MAPK12MAPK11
SCHEMBL4502710 0.67 ALOX15 (0.41) NPC1PLAUMAPK13MAPK12MAPK11
SCHEMBL13745418 0.65 MAPT (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL448865 0.65 NPC1 (0.38) NPC1PLAUMAPK13MAPK12MAPK11
SCHEMBL407439 0.64 NPC1 (0.70) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11442210 0.64 ALOX5 (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL885250 0.64 NPC1 (0.55) NPC1MAPK13MAPK12MAPK11MAPK14
Indoline SCHEMBL10723456 0.64 HTR2C (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH NPC1 1869/4885PLAU 4572/4885MAPK13 1371/4885

“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.