SCHEMBL26426398

SCHEMBL26426398

C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)CC12CNC2=O)[C@@H](C)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 7/20 0.38
CCR5 P51681 2/20 0.37
GPR119 Q8TDV5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL21051198 0.87 P2RX7 (0.43) MEN1KMT2AMAPTP2RX7L3MBTL1
SCHEMBL21051197 0.87 P2RX7 (0.43) MEN1KMT2AMAPTP2RX7L3MBTL1
SCHEMBL21051196 0.87 P2RX7 (0.43) MEN1KMT2AMAPTP2RX7L3MBTL1
SCHEMBL19839203 0.84 MEN1 (0.46) MEN1KMT2AMAPTCCR5L3MBTL1
SCHEMBL26426413 0.84 HSD17B10 (0.37) MEN1KMT2A
SCHEMBL19839541 0.80 MEN1 (0.38) MEN1KMT2AMAPTP2RX7CCR5
SCHEMBL19839539 0.80 MEN1 (0.38) MEN1KMT2AMAPTP2RX7CCR5
SCHEMBL21104754 0.76 MEN1 (0.48) MEN1KMT2AMAPTP2RX7CCR5
SCHEMBL26089141 0.76 CRBN (0.38) MEN1KMT2AMAPTCCR5GPR119
SCHEMBL19839394 0.76 DDB1 (0.39) MEN1KMT2AMAPTCCR5MAPK1

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-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC (US) 2023-04-27 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-20230131402-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN1, GRIN2A, GRIN3A MEN1 2365/4885KMT2A 1591/4885MAPT 1898/4885

“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.