SCHEMBL20239173

SCHEMBL20239173

CCc1cnc(NCc2cc(Oc3ccc(CCNC(=O)O)cc3)nc(N)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 2/20 0.43
DGAT2 Q96PD7 1/20 0.40
OPRM1 P35372 7/20 0.39
OPRD1 P41143 6/20 0.39
OPRK1 P41145 4/20 0.39
ACACB O00763 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 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
SCHEMBL20239151 0.93 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20239192 0.91 OPRM1 (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20239165 0.90 DGAT2 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20259158 0.89 SMN1; SMN2 (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20239222 0.86 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20239271 0.85 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20259121 0.85 SMN1; SMN2 (0.45) SMN1; SMN2RAB9ANPC1ALDH1A1DGAT2
SCHEMBL20239241 0.84 ACACB (0.44) SMN1; SMN2ALDH1A1DGAT2OPRM1OPRD1
SCHEMBL20239177 0.83 DGAT2 (0.49) SMN1; SMN2RAB9AALDH1A1DGAT2ACACB
SCHEMBL20239244 0.81 DGAT2 (0.48) RAB9ANPC1ALDH1A1DGAT2OPRM1

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 2 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-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 (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-20180162825-A1 NOVEL DGAT2 INHIBITORS DGAT2, DGAT1, LCAT SMN1; SMN2 4828/4885RAB9A 1170/4885NPC1 33/4885

“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.