SCHEMBL5897211

SCHEMBL5897211

CCC(=O)C1C(=O)CCC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NAMPT P43490 10/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ THRB P10828 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
SCHEMBL31081976 0.85 DDB1 (0.41) DDB1CRBNGPR119USP2SMN1; SMN2
SCHEMBL31646257 0.84 DDB1 (0.40) DDB1CRBNGPR119EPHX2USP2
SCHEMBL31646142 0.80 HPGD (0.40) DDB1CRBNGPR119EPHX2NAMPT
SCHEMBL5896312 0.78 DDB1 (0.47) DDB1CRBNGPR119EPHX2USP2
SCHEMBL5894995 0.77 DDB1 (0.44) DDB1CRBNGPR119EPHX2USP2
SCHEMBL31329667 0.77 EPHX1 (0.40) DDB1CRBNGPR119EPHX2USP2
SCHEMBL31645388 0.77 ROCK2 (0.39) DDB1CRBNGPR119EPHX2NAMPT
SCHEMBL23145355 0.74 USP2 (0.45) DDB1CRBNGPR119EPHX2USP2
SCHEMBL4792848 0.73 DDB1 (0.43) DDB1CRBNGPR119EPHX2USP2
SCHEMBL31645675 0.72 ROCK2 (0.39) DDB1CRBNEPHX2USP2SMN1; SMN2

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 DDB1 1167/4885CRBN 4573/4885GPR119 87/4885

“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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