SCHEMBL5895563

SCHEMBL5895563

CC(=O)C1CCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ RECQL P46063 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ PTPN2 P17706 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ PTPN6 P29350 1/20 0.40
▸ HRH3 Q9Y5N1 4/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL5895810 0.86 ALDH1A1 (0.43) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL4792848 0.85 DDB1 (0.43) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL31184024 0.83 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL20385872 0.83 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL16914367 0.83 KDM4E (0.45) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL16925178 0.82 KDM4E (0.44) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL29498092 0.82 KDM4E (0.44) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL5895200 0.80 GPR119 (0.43) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL5895894 0.80 DDB1 (0.47) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL5897345 0.79 USP2 (0.30) USP2

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 KDM4E 4279/4885MAPT 4825/4885THRB 2278/4885

“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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