SCHEMBL445306

SCHEMBL445306

OC1c2ccccc2CC2CC21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
KDM1A O60341 4/20 0.40
OPRM1 P35372 4/20 0.39
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL7938905 0.76 KDM1A (0.41) SIGMAR1KDM1AGRIN2DGRIN3BGRIN1
SCHEMBL8067082 0.75 KDM1A (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL8071766 0.75 KDM1A (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL29833737 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL562559 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL4168243 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL3867845 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL5271544 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL783223 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1
SCHEMBL8049751 0.74 ANPEP (0.42) KDM1AOPRM1GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 SIGMAR1 4626/4885KDM1A 3954/4885OPRM1 4752/4885

“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.