SCHEMBL5895020

SCHEMBL5895020

CCC(=O)C1COC2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.31
▸ GRIN3B O60391 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2A Q12879 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ GRIN2C Q14957 1/20 0.31
▸ GRIN3A Q8TCU5 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL5895416 0.75 OPRM1 (0.33) OPRM1
SCHEMBL23002608 0.68 USP2 (0.34) ALDH1A1
SCHEMBL5895767 0.66 OPRM1 (0.32) OPRM1
SCHEMBL5897345 0.64 USP2 (0.30) —
SCHEMBL23002533 0.63 ALDH1A1 (0.33) SIGMAR1ALDH1A1TSHRL3MBTL1
SCHEMBL5896612 0.63 ALDH1A1 (0.32) ALDH1A1TSHRL3MBTL1
SCHEMBL17713778 0.61 GAA (0.42) ALDH1A1L3MBTL1
SCHEMBL23002541 0.60 USP2 (0.44) —
SCHEMBL21631653 0.60 — —
SCHEMBL16914477 0.60 — —

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-7091211-B2 Cyclopentyl modulators of chemokine receptor activity MERCK & CO., INC. (US) 2006-08-15 — — US disclosed
US-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2005-03-31 — — 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-20050070609-A1 Cyclopentyl modulators of chemokine receptor activity CCR5, CXCR1, ACKR3 GRIN2D 2222/4885GRIN3B 916/4885DRD2 285/4885

“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.

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