SCHEMBL6701202

SCHEMBL6701202

CC1(NC(=O)OC(C)(C)C)CCN(c2ncccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
GPR119 Q8TDV5 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.42
RET P07949 5/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 4/20 0.41
USP2 O75604 2/20 0.41
CYP2C9 P11712 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL21227883 0.86 GPR119 (0.46) CYP3A4GPR119MEN1KMT2AMAPT
SCHEMBL7394146 0.86 PANK3 (0.42) CYP3A4GPR119MAPTRETACHE
SCHEMBL20137774 0.84 RET (0.43) CYP3A4GPR119MAPTRET
SCHEMBL17531189 0.83 RET (0.41) RET
SCHEMBL28562329 0.83 RET (0.42) CYP3A4GPR119MAPTRETACHE
SCHEMBL30004676 0.82 RET (0.46) GPR119RETACHE
SCHEMBL28676196 0.82 RET (0.46) GPR119RETACHE
SCHEMBL20069993 0.81 USP30 (0.44) RET
SCHEMBL6700495 0.80 GPR119 (0.54) GPR119RETALDH1A1
SCHEMBL29959356 0.80 RET (0.39) KMT2AMAPTRETSMN1; SMN2ALDH1A1

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
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP 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-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 CYP3A4 972/4885GPR119 111/4885MEN1 3315/4885

“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.