SCHEMBL26089693

SCHEMBL26089693

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.42
CTSK P43235 6/20 0.42
CTSB P07858 4/20 0.42
CTSS P25774 3/20 0.42
CTSL P07711 4/20 0.41
CAPN1 P07384 2/20 0.41
PREP P48147 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL26089697 1.00 CCR1 (0.42) CCR1CTSKCTSBCTSSCTSL
SCHEMBL29648912 0.91 CTSK (0.42) CCR1CTSKCTSBCTSSCTSL
SCHEMBL21051197 0.90 P2RX7 (0.43) CCR1CTSKCTSBCTSL
SCHEMBL21051196 0.90 P2RX7 (0.43) CCR1CTSKCTSBCTSL
SCHEMBL21051198 0.90 P2RX7 (0.43) CCR1CTSKCTSBCTSL
SCHEMBL30801709 0.86 CTSB (0.47) CCR1CTSKCTSBCTSSCTSL
SCHEMBL19839889 0.82 CCKBR (0.39) CCR1CTSKCTSBCTSLCAPN1
SCHEMBL19839886 0.82 CCKBR (0.39) CCR1CTSKCTSBCTSLCAPN1
SCHEMBL15937145 0.78 CTSL (0.47) CCR1CTSKCTSBCTSSCTSL
SCHEMBL26426398 0.76 MEN1 (0.39)

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 CCR1 2835/4885CTSK 4137/4885CTSB 4429/4885

“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.