SCHEMBL448117

SCHEMBL448117

[CH2]C(C)OC1COc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTA4H P09960 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NISCH Q9Y2I1 2/20 0.39
CA2 P00918 1/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
HPGD P15428 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL448546 0.77 NISCH (0.44) SMN1; SMN2MAPTLTA4HALDH1A1NISCH
SCHEMBL21359684 0.76 NISCH (0.47) LMNASMN1; SMN2MAPTALDH1A1NISCH
SCHEMBL450872 0.72 ADRA2A (0.44) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL10595452 0.70 ADRA1D (0.45) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL450354 0.70 ADRA2A (0.42) LMNASMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL11030934 0.70 NISCH (0.50) SMN1; SMN2MAPTALDH1A1NISCHCA2
SCHEMBL13676827 0.69 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1LTA4H
SCHEMBL13533398 0.69 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1LTA4H
SCHEMBL12340 0.69 LMNA (0.56) LMNASMN1; SMN2MAPTNPSR1LTA4H
SCHEMBL21641634 0.69 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1NISCHCA2

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 4 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
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 LMNA 2513/4885SMN1; SMN2 3455/4885MAPT 4550/4885

“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.