SCHEMBL171022

SCHEMBL171022

Nc1ccc(-c2noc(C3CCC(C(=O)O)CC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
HSD11B1 P28845 5/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL25338113 0.87 CA12 (0.66) CA12CA1CA2CA9NPC1
SCHEMBL4521230 0.85 CYP1A2 (0.66) CA12CA1CA2CA9HSD11B1
SCHEMBL4521239 0.85 CYP1A2 (0.66) CA12CA1CA2CA9HSD11B1
SCHEMBL30584793 0.84 ALDH1A1 (0.56) CA12CA1CA2CA9ALDH1A1
SCHEMBL174481 0.83 CA12 (0.52) CA12CA1CA2CA9HSD11B1
SCHEMBL22442350 0.80 CA12 (0.61) CA12CA1CA2CA9HSD11B1
SCHEMBL30540363 0.79 CA12 (0.63) CA12CA1CA2CA9HSD11B1
SCHEMBL161998 0.79 NPC1 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL162121 0.79 NPC1 (0.56) CA12CA1CA2CA9NPC1
SCHEMBL174317 0.78 S1PR4 (0.49) CA12CA1CA2CA9HSD11B1

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 4307/4885CA1 3328/4885CA2 2982/4885

“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.