SCHEMBL174832

SCHEMBL174832

COC(=O)C1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
BACE1 P56817 1/20 0.40
TNK2 Q07912 2/20 0.38
PI4KB Q9UBF8 1/20 0.38
CSNK2A1 P68400 1/20 0.36
WNT1 P04628 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MAP4K3 Q8IVH8 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAP4K4 O95819 1/20 0.35
GCK P35557 1/20 0.35
MAP4K1 Q92918 1/20 0.35
MAP4K5 Q9Y4K4 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DGAT1 O75907 1/20 0.35

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
SCHEMBL173898 0.84 MAPT (0.49) TRPV1
SCHEMBL162685 0.82 DGAT1 (0.46) CYP1A2CYP2C9DGAT1KDM4E
SCHEMBL161939 0.82 DGAT1 (0.56) MKNK1TRPM8TRPV1DGAT1
SCHEMBL160635 0.82 CNR1 (0.50) DGAT1
SCHEMBL15022054 0.80 CNR1 (0.41) DGAT1
SCHEMBL160162 0.80 NPC1 (0.45) CSNK2A1CYP1A2DGAT1KDM4E
SCHEMBL161947 0.79 EPHX1 (0.49) DGAT1
SCHEMBL174097 0.79 DGAT1 (0.58) MAP4K4MAP4K5DGAT1
SCHEMBL160753 0.78 DGAT1 (0.52) TRPV1DGAT1
SCHEMBL160070 0.78 DGAT1 (0.49) TNK2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 CYP3A4 1000/4885BACE1 958/4885TNK2 417/4885

“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.