SCHEMBL174036

SCHEMBL174036

COC(=O)C1CCC(c2ncc(-c3ccc(N)cc3)o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
CA1 P00915 4/20 0.52
CYP2C9 P11712 1/20 0.51
HDAC4 P56524 1/20 0.51
KMT2A Q03164 3/20 0.49
TP53 P04637 6/20 0.48
NPC1 O15118 5/20 0.48
RAB9A P51151 3/20 0.47
NOD2 Q9HC29 1/20 0.47
POLB P06746 1/20 0.47
PAX8 Q06710 2/20 0.47
LMNA P02545 5/20 0.46
MAPT P10636 2/20 0.46
NR2F2 P24468 1/20 0.45

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
SCHEMBL408805 0.88 CYP2C9 (0.56) CA12CA2CA9CA1CYP2C9
SCHEMBL406879 0.88 CYP2C9 (0.56) CA12CA2CA9CA1CYP2C9
SCHEMBL174246 0.84 MAPT (0.49) CA12CA2CA9CA1CYP2C9
SCHEMBL163647 0.82 KMT2A (0.54) CA12CA2CA9CA1CYP2C9
SCHEMBL174380 0.80 TP53 (0.52) CYP2C9HDAC4KMT2ATP53NPC1
SCHEMBL163130 0.78 SMO (0.58) CYP2C9HDAC4KMT2ATP53NPC1
SCHEMBL164651 0.78 KMT2A (0.50) CYP2C9HDAC4KMT2ATP53NPC1
SCHEMBL162572 0.78 LMNA (0.49) CYP2C9HDAC4KMT2ATP53NPC1
SCHEMBL161847 0.77 NPC1 (0.49) KMT2ATP53NPC1RAB9ANOD2
SCHEMBL161688 0.77 DGAT1 (0.51) CA12CA2CA9CA1KMT2A

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 CA12 4307/4885CA2 2982/4885CA9 3590/4885

“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.