SCHEMBL3738632

SCHEMBL3738632

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.43
KDM4D Q6B0I6 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
GPR119 Q8TDV5 6/20 0.36
PANK3 Q9H999 4/20 0.36
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
KCNH2 Q12809 1/20 0.36
EGLN2 Q96KS0 1/20 0.35
CHRM5 P08912 1/20 0.35
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL3742838 0.92 RET (0.45) RETKDM4DCNR1CNR2IRAK4
SCHEMBL3742666 0.85 AR (0.43) KDM4DGPR119CHRM2CHRM1CHRM3
SCHEMBL13078809 0.84 RET (0.42) RETKDM4DCNR1CNR2IRAK4
SCHEMBL1022117 0.83 RET (0.57) RETKDM4DIRAK4GPR119
SCHEMBL3744739 0.81 KDM1A (0.42) KDM4DGPR119
SCHEMBL30045709 0.76 RET (0.51) RETKDM4DIRAK4GPR119CHRM2
SCHEMBL13045267 0.75 RET (0.38) RET
SCHEMBL31464957 0.75 RET (0.50) RETIRAK4GPR119PANK3CHRM2
SCHEMBL21522470 0.75 RET (0.50) RETIRAK4GPR119PANK3CHRM2
SCHEMBL27424684 0.75 RET (0.50) RETIRAK4GPR119PANK3CHRM2

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 5 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

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 1387/4885CNR1 4832/4885

“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.