SCHEMBL12059256

SCHEMBL12059256

CCC(C)CCN1CCCC1CC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
S1PR4 O95977 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK2 Q9NRA0 2/20 0.33
SPHK1 Q9NYA1 2/20 0.33
TERT O14746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 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
SCHEMBL12059275 0.95 TSHR (0.39) HTTL3MBTL1TSHRALDH1A1GAA
SCHEMBL9892991 0.81 HTT (0.37) HTTL3MBTL1TSHRALDH1A1HRH3
SCHEMBL23828670 0.80 S1PR1 (0.41) TSHRALDH1A1HRH3SMN1; SMN2S1PR1
SCHEMBL8860900 0.77 S1PR1 (0.42) TSHRHRH3S1PR1S1PR3S1PR5
SCHEMBL23828675 0.77 S1PR1 (0.50) TSHRHRH3SMN1; SMN2S1PR1S1PR3
SCHEMBL23828673 0.77 S1PR1 (0.46) TSHRHRH3S1PR1S1PR3S1PR5
SCHEMBL14734034 0.76 HTT (0.46) HTTL3MBTL1TSHRALDH1A1SMN1; SMN2
SCHEMBL21011909 0.75 S1PR1 (0.31) HTTS1PR1S1PR3S1PR5S1PR4
Hydrochloric Acid SCHEMBL30330909 0.75 S1PR1 (0.41) TSHRHRH3S1PR1S1PR3S1PR5
SCHEMBL3106339 0.75 TDP1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 HTT 310/4885L3MBTL1 3622/4885TSHR 1410/4885

“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.