SCHEMBL161998

SCHEMBL161998

Cc1ccc(NC(=O)Nc2ccc(-c3noc(C4CCC(C(=O)O)CC4)n3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 4/20 0.55
MAPK1 P28482 2/20 0.55
TUBB4A P04350 3/20 0.52
TUBB P07437 3/20 0.52
TUBA3C P0DPH7 3/20 0.52
TUBA1B P68363 3/20 0.52
TUBA4A P68366 3/20 0.52
TUBB4B P68371 3/20 0.52
TUBB3 Q13509 3/20 0.52
TUBB2A Q13885 3/20 0.52
TUBB8 Q3ZCM7 3/20 0.52
TUBA3E Q6PEY2 3/20 0.52
TUBA1A Q71U36 3/20 0.52
TUBA1C Q9BQE3 3/20 0.52
TUBB6 Q9BUF5 3/20 0.52
TUBB2B Q9BVA1 3/20 0.52
TUBB1 Q9H4B7 3/20 0.52
LMNA P02545 3/20 0.50

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
SCHEMBL162121 1.00 NPC1 (0.56) NPC1RAB9AMAPTMAPK1TUBB4A
SCHEMBL174043 0.88 RAB9A (0.74) NPC1RAB9AMAPTMAPK1TUBB4A
SCHEMBL162496 0.85 DGAT1 (0.55) NPC1RAB9AMAPTMAPK1LMNA
SCHEMBL163038 0.85 DGAT1 (0.55) NPC1RAB9AMAPTMAPK1LMNA
SCHEMBL162490 0.84 DGAT1 (0.52) NPC1RAB9AMAPTTUBB4ATUBB
SCHEMBL162837 0.84 DGAT1 (0.52) NPC1RAB9AMAPTTUBB4ATUBB
SCHEMBL11713855 0.84 MAPT (0.56) NPC1RAB9AMAPTMAPK1TUBB4A
SCHEMBL162122 0.83 MAPT (0.54) NPC1RAB9AMAPTMAPK1TUBB4A
SCHEMBL162493 0.82 DGAT1 (0.54) NPC1RAB9AMAPTMAPK1TUBB4A
SCHEMBL163012 0.82 DGAT1 (0.54) NPC1RAB9AMAPTMAPK1TUBB4A

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 6 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 claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
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 NPC1 86/4885RAB9A 1781/4885MAPT 137/4885

“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.