SCHEMBL448865

SCHEMBL448865

[C]1Nc2ccccc2CCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HTR2C P28335 1/20 0.32
AHR P35869 1/20 0.31
PDK2 Q15119 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL924775 0.79 MAOA (0.34) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL155050 0.69 MAPT (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4489100 0.68 NPC1 (0.42) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2203 0.68 NPC1 (0.42) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL448864 0.65 NPC1 (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL4502710 0.65 ALOX15 (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13279465 0.65 MAPT (0.41) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL13745418 0.64 MAPT (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL293686 0.64 TSHR (0.46) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL662271 0.64 CA12 (0.39) CA12CA1CA2CA9HTR2C

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
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 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 (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 1869/4885MAPK13 1371/4885MAPK12 1542/4885

“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.