SCHEMBL3742838

SCHEMBL3742838

COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC2CCC(C1)N2c1ccc(C#N)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
KDM4D Q6B0I6 3/20 0.41
GPR119 Q8TDV5 4/20 0.38
IRAK4 Q9NWZ3 3/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PANK3 Q9H999 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL3738632 0.92 RET (0.43) RETKDM4DGPR119IRAK4CNR1
SCHEMBL13078809 0.85 RET (0.42) RETKDM4DGPR119IRAK4CNR1
SCHEMBL1022117 0.85 RET (0.57) RETKDM4DGPR119IRAK4JAK3
SCHEMBL13045267 0.84 RET (0.38) RETJAK2JAK1AAK1
SCHEMBL30045709 0.77 RET (0.51) RETKDM4DGPR119IRAK4CHRM2
SCHEMBL3742666 0.77 AR (0.43) KDM4DGPR119CHRM2CHRM1CHRM3
SCHEMBL21522470 0.74 RET (0.50) RETGPR119IRAK4PANK3CHRM2
SCHEMBL31464957 0.74 RET (0.50) RETGPR119IRAK4PANK3CHRM2
SCHEMBL27424943 0.74 RET (0.50) RETGPR119IRAK4PANK3CHRM2
SCHEMBL27424684 0.74 RET (0.50) RETGPR119IRAK4PANK3CHRM2

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
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 RET 908/4885KDM4D 1387/4885GPR119 48/4885

“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.