SCHEMBL3747804

SCHEMBL3747804

COC(=O)[C@H](C1CC2CCC(C1)N2C(=O)c1ccc(C(F)(F)F)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELOVL6 Q9H5J4 5/20 0.51
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 6/20 0.38
HCRTR2 O43614 6/20 0.38
CHRM5 P08912 1/20 0.37
HSD11B1 P28845 1/20 0.37
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36

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
SCHEMBL3738763 0.88 ELOVL6 (0.54) ELOVL6
SCHEMBL3748640 0.81 HTR3E (0.45) KDM4EPOLBTDP1CYP2C9SMN1; SMN2
SCHEMBL13045214 0.81 HTR3E (0.45) KDM4EPOLBTDP1CYP2C9SMN1; SMN2
SCHEMBL3742026 0.79 PRMT5 (0.35) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL3751320 0.77 CHRM1 (0.38) KDM4EPOLBCHRM5
SCHEMBL3752920 0.77 CHRM1 (0.38) KDM4EPOLBCHRM5
SCHEMBL3742617 0.76 CNR2 (0.39) KDM4EALDH1A1POLBSMN1; SMN2HSD11B1
SCHEMBL13045367 0.76 HTR2C (0.43) NPC1RAB9ASMN1; SMN2CHRM5
SCHEMBL3747970 0.76 HTR2C (0.43) NPC1RAB9ASMN1; SMN2CHRM5
SCHEMBL3738836 0.73 ELOVL6 (0.47) ELOVL6KDM4EALDH1A1POLBGAA

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
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US claimed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US claimed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 WO claimed
US-8338450-B2 Compounds as dipeptidyl peptidase IV (DPP IV) inhibitors LUPIN LIMITED (IN) 2012-12-25 US disclosed
US-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2010-11-18 US disclosed
WO-2009037719-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS LUPIN LIMITED (IN) 2009-03-26 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-20100291020-A1 NOVEL COMPOUNDS AS DIPEPTIDYL PEPTIDASE IV (DPP IV) INHIBITORS DPP4, DPP7, DPP3 ELOVL6 1589/4885KDM4E 1818/4885ALDH1A1 634/4885

“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.