SCHEMBL10197353

SCHEMBL10197353

CCC1CCC(c2ccc(-c3ccc4nc(Nc5ccccc5)cnc4c3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.52
PDGFRB P09619 5/20 0.48
PDGFRA P16234 5/20 0.48
SOAT2 O75908 2/20 0.43
SOAT1 P35610 1/20 0.42
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
MAP4K1 Q92918 2/20 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
SCHEMBL10197900 0.87 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL410033 0.87 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL410032 0.87 DGAT1 (0.70) DGAT1SOAT2SOAT1
SCHEMBL13190414 0.86 PDGFRB (0.51) DGAT1PDGFRBPDGFRANPC1RAB9A
SCHEMBL10197485 0.71 DGAT1 (0.66) DGAT1SOAT2SOAT1
SCHEMBL11035816 0.69 ESR2 (0.47) DGAT1MEN1NPC1ALDH1A1RAB9A
SCHEMBL11035814 0.69 ESR2 (0.47) DGAT1MEN1NPC1ALDH1A1RAB9A
SCHEMBL3915443 0.69 PDGFRB (0.76) PDGFRBPDGFRAMEN1NPC1ALDH1A1
SCHEMBL10341907 0.69 HDAC4 (0.44) DGAT1SOAT1MEN1NPC1ALDH1A1
SCHEMBL10743452 0.69 HDAC4 (0.44) DGAT1SOAT1MEN1NPC1ALDH1A1

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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2012-01-26 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-20120022057-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT DGAT1 2/4885PDGFRB 3777/4885PDGFRA 3456/4885

“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.