SCHEMBL12015672

SCHEMBL12015672

CN1CCOc2c(CO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
NOTUM Q6P988 2/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
THRB P10828 1/20 0.34
GRM5 P41594 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL4781137 0.77 NOTUM (0.49) NOTUMTHRBMTNR1A
SCHEMBL1082973 0.77 NOTUM (0.41) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL8593458 0.76 L3MBTL1 (0.46) NOTUM
SCHEMBL27259961 0.75 NOTUM (0.60) NOTUM
SCHEMBL27358451 0.75 NPC1 (0.45) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL23384700 0.75 NOTUM (0.39) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL22717412 0.75 NOTUM (0.39) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL3595427 0.75 HTR6 (0.51) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL18387670 0.74 UCHL1 (0.46) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL22313615 0.73 NOTUM (0.38) NOTUMGRM5CYP11B1CYP11B2

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-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 HCRTR1 954/4885HCRTR2 397/4885NOTUM 1401/4885

“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.