SCHEMBL6702989

SCHEMBL6702989

CC1(NC(=O)OC(C)(C)C)CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RET P07949 15/20 0.58
DPP4 P27487 1/20 0.51
PANK3 Q9H999 4/20 0.49

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
SCHEMBL6702674 0.87 RET (0.50) RETDPP4PANK3
SCHEMBL6701592 0.85 CNR1 (0.47) RETDPP4PANK3
SCHEMBL6698757 0.84 RET (0.52) RETPANK3
SCHEMBL6698881 0.82 MAPT (0.53) RETPANK3
SCHEMBL646364 0.81 DPP4 (0.49) RETDPP4PANK3
SCHEMBL6700935 0.81 RET (0.50) RET
SCHEMBL6703611 0.81 RET (0.56) RET
SCHEMBL23657205 0.80 RET (0.47) RET
SCHEMBL29770946 0.80 RET (0.47) RET
SCHEMBL7078845 0.80 RET (0.57) RETDPP4PANK3

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 RET 3084/4885DPP4 1/4885PANK3 3024/4885

“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.