SCHEMBL4792848

SCHEMBL4792848

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.43
▸ CRBN Q96SW2 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.39
▸ USP2 O75604 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ DPP4 P27487 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
SCHEMBL5895563 0.85 KDM4E (0.43) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL5895810 0.83 ALDH1A1 (0.43) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL20385872 0.80 KDM4E (0.45) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL31184024 0.80 KDM4E (0.45) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL16914367 0.80 KDM4E (0.45) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL5895161 0.79 USP2 (0.40) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL5895894 0.79 DDB1 (0.47) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL29498092 0.79 KDM4E (0.44) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL16925178 0.79 KDM4E (0.44) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL5895430 0.79 DDB1 (0.42) DDB1CRBNKDM4EMAPTTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907372-A1 SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2008-04-09 — — EP disclosed
WO-2007003965-A1 SUBSTITUTED CYCLOHEXYL DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2007-01-11 — — WO disclosed
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 4573/4885KDM4E 4279/4885

“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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