SCHEMBL10198301

SCHEMBL10198301

CCC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccc(C)cc3)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.69
TP53 P04637 2/20 0.52
NPC1 O15118 2/20 0.52
NFKB1 P19838 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
SOAT2 O75908 3/20 0.50
CYP2C9 P11712 1/20 0.47
SOAT1 P35610 1/20 0.47
DGAT2 Q96PD7 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL10198276 0.92 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10198272 0.92 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10198271 0.91 DGAT1 (0.82) DGAT1TP53NPC1NFKB1RAB9A
SCHEMBL408985 0.91 DGAT1 (0.84) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL408984 0.91 DGAT1 (0.84) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10198278 0.90 DGAT1 (0.69) DGAT1NPC1NFKB1RAB9ANFKB2
SCHEMBL10198264 0.88 DGAT1 (0.64) DGAT1TP53NPC1NFKB1RAB9A
SCHEMBL10198281 0.88 DGAT1 (0.66) DGAT1SOAT2CYP2C9SOAT1DGAT2
SCHEMBL10198266 0.85 DGAT1 (0.68) DGAT1NPC1SMN1; SMN2SOAT2CYP2C9
SCHEMBL10198290 0.85 DGAT1 (0.68) DGAT1SOAT2CYP2C9SOAT1DGAT2

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 2/4885TP53 4414/4885NPC1 271/4885

“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.