SCHEMBL20239151

SCHEMBL20239151

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
ACACB O00763 8/20 0.43
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
DGAT2 Q96PD7 1/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL20239173 0.93 SMN1; SMN2 (0.46) SMN1; SMN2ACACBALDH1A1RAB9ANPC1
SCHEMBL20239177 0.91 DGAT2 (0.49) SMN1; SMN2ACACBALDH1A1RAB9ADGAT2
SCHEMBL20239241 0.90 ACACB (0.44) SMN1; SMN2ACACBALDH1A1DGAT2MTNR1A
SCHEMBL20259158 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1DGAT2
SCHEMBL20239167 0.86 SMN1; SMN2 (0.49) SMN1; SMN2ACACBALDH1A1MTNR1AMTNR1B
SCHEMBL20239222 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1DGAT2
SCHEMBL20239271 0.85 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9ANPC1DGAT2
SCHEMBL20259121 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1DGAT2
SCHEMBL20239192 0.83 OPRM1 (0.40) SMN1; SMN2ACACBALDH1A1RAB9ANPC1
SCHEMBL20239164 0.82 SMN1; SMN2 (0.44) SMN1; SMN2ACACBMTNR1AMTNR1B

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 4 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
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 SMN1; SMN2 4828/4885ACACB 152/4885ALDH1A1 1430/4885
US-10053429-B2 DGAT2 inhibitors DGAT2, DGAT1, LCAT SMN1; SMN2 4835/4885ACACB 152/4885ALDH1A1 1189/4885

“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.