SCHEMBL599422

SCHEMBL599422

C[C@H]1CC[C@@H](C#N)CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DPP4 P27487 3/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL599421 1.00 MAPT (0.34) MAPTKDM2BDPP4GAATSHR
SCHEMBL599420 1.00 MAPT (0.34) MAPTKDM2BDPP4GAATSHR
SCHEMBL22123150 0.85 MAPT (0.34) MAPTKDM2BDPP4GAATSHR
SCHEMBL25310191 0.83 KDM2B (0.32) MAPTKDM2BTSHR
SCHEMBL22633315 0.83 KDM2B (0.32) MAPTKDM2BTSHR
SCHEMBL25315216 0.83 KDM2B (0.32) MAPTKDM2BTSHR
SCHEMBL17714409 0.81 MAPT (0.38) MAPTGAATSHR
SCHEMBL7879359 0.77 MEN1 (0.39) MAPTDPP4TSHR
SCHEMBL7879740 0.77 MEN1 (0.39) MAPTDPP4TSHR
SCHEMBL26676803 0.74 LIPE (0.43) MAPTGAATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCER SWATI P (US) 2012-02-16 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 (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-20120040998-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS GRM5, GRIK5, GRM2 MAPT 1329/4885KDM2B 2359/4885DPP4 1764/4885

“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.