SCHEMBL17835259

SCHEMBL17835259

CC[C@@H]1CCC[C@H](OC)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KAT8 Q9H7Z6 1/20 0.30

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
SCHEMBL26753583 1.00 DPP4 (0.33) DPP4DPP7IDO1TDO2KAT8
SCHEMBL257813 1.00 DPP4 (0.33) DPP4DPP7IDO1TDO2KAT8
SCHEMBL21947332 1.00 DPP4 (0.33) DPP4DPP7IDO1TDO2KAT8
SCHEMBL17858342 1.00 DPP4 (0.33) DPP4DPP7IDO1TDO2KAT8
SCHEMBL23133729 0.86
SCHEMBL21961817 0.86
SCHEMBL10290749 0.86
SCHEMBL21946982 0.86
SCHEMBL5888393 0.86
SCHEMBL23114294 0.86

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-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-30 US disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 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 (2 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-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES P2RX3, P2RX7, P2RX2 DPP4 865/4885DPP7 1180/4885IDO1 28/4885
US-20200131201-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 DPP4 3765/4885DPP7 2864/4885IDO1 429/4885

“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.