SCHEMBL20239158

SCHEMBL20239158

Cc1nc(CN)cc(Oc2ccc(CCNC(=O)O)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
OPRM1 P35372 4/20 0.40
ACACB O00763 1/20 0.40
PLAAT3 P53816 4/20 0.39
PLAAT5 Q96KN8 4/20 0.39
PLAAT2 Q9NWW9 4/20 0.39
PLAAT4 Q9UL19 4/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
LOX P28300 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
LTA4H P09960 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL20239168 0.88 RAB9A (0.47) EPHX2OPRM1ACACBPLAAT3PLAAT5
SCHEMBL20259223 0.87 CA2 (0.43) ALDH1A1RAB9AGLAKMT2A
SCHEMBL20239174 0.82 LOXL2 (0.53) EPHX2OPRM1ACACBPLAAT3PLAAT5
SCHEMBL20239138 0.81 EPHX2 (0.43) EPHX2OPRM1ACACBPLAAT3PLAAT5
SCHEMBL20239244 0.80 DGAT2 (0.48) EPHX2OPRM1ACACBPLAAT3PLAAT5
SCHEMBL20239192 0.80 OPRM1 (0.40) EPHX2OPRM1ACACBPLAAT3PLAAT5
SCHEMBL16747531 0.77 SMN1; SMN2 (0.43) ALDH1A1RAB9ASMN1; SMN2KMT2ALOX
SCHEMBL20259240 0.76 RAB9A (0.47) ALDH1A1RAB9ASMN1; SMN2GLAKMT2A
SCHEMBL18249764 0.76 LOXL2 (0.65) LOXLOXL2
SCHEMBL20239237 0.76 ALDH1A1 (0.65) EPHX2OPRM1PLAAT3PLAAT5PLAAT2

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-3298001-B1 DGAT2 INHIBITORS LILLY CO ELI (US) 2020-05-13 EP disclosed
US-10053429-B2 DGAT2 inhibitors ELI LILLY AND COMPANY (US) 2018-08-21 US disclosed
US-20180162825-A1 NOVEL DGAT2 INHIBITORS ELI LILY AND COMPANY (US) 2018-06-14 US 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 (2 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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT EPHX2 1522/4885OPRM1 4494/4885ACACB 152/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT EPHX2 1200/4885OPRM1 4206/4885ACACB 152/4885

“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.