SCHEMBL10197359

SCHEMBL10197359

CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccn5)ccnc4c3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.66
SOAT1 P35610 1/20 0.66
SOAT2 O75908 1/20 0.51
CYP3A4 P08684 1/20 0.43
KDR P35968 1/20 0.43
PREP P48147 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAP3K5 Q99683 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GSK3B P49841 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL10198031 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2PREP
SCHEMBL409195 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2PREP
SCHEMBL409194 0.90 DGAT1 (0.82) DGAT1SOAT1SOAT2PREP
SCHEMBL10197337 0.89 DGAT1 (0.83) DGAT1SOAT1SOAT2KDRPREP
SCHEMBL13190284 0.88 DGAT1 (0.61) DGAT1SOAT1SOAT2CYP3A4KDR
SCHEMBL10197379 0.86 DGAT1 (0.65) DGAT1SOAT1SOAT2PREPCNR1
SCHEMBL10197400 0.84 DGAT1 (0.62) DGAT1SOAT1SOAT2PREPCNR1
SCHEMBL10197360 0.84 DGAT1 (0.62) DGAT1SOAT1SOAT2PREPCNR1
SCHEMBL10197380 0.81 DGAT1 (0.59) DGAT1SOAT1SOAT2KDRPREP
SCHEMBL10197402 0.81 DGAT1 (0.58) DGAT1SOAT1SOAT2KDRPREP

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 2/4885SOAT1 18/4885SOAT2 9/4885

“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.