SCHEMBL162490

SCHEMBL162490

O=C(Nc1ccc(-c2noc([C@H]3CC[C@H](C(=O)O)CC3)n2)cc1)Nc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.52
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 4/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 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
SCHEMBL162837 1.00 DGAT1 (0.52) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL162496 0.85 DGAT1 (0.55) DGAT1MAPTLMNAHTTMEN1
SCHEMBL163038 0.85 DGAT1 (0.55) DGAT1MAPTLMNAHTTMEN1
SCHEMBL162121 0.84 NPC1 (0.56) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL161998 0.84 NPC1 (0.56) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL161320 0.83 P2RY1 (0.52) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL161638 0.83 P2RY1 (0.52) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL161648 0.81 KMT2A (0.49) DGAT1MAPTLMNAHTTMEN1
SCHEMBL163012 0.79 DGAT1 (0.54) DGAT1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL162493 0.79 DGAT1 (0.54) DGAT1TUBB4ATUBBTUBA3CTUBA1B

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 DGAT1 1/4885TUBB4A 3589/4885TUBB 3597/4885

“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.