SCHEMBL5895430

SCHEMBL5895430

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.39
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EED O75530 1/20 0.38
▸ RBBP4 Q09028 1/20 0.38
▸ SUZ12 Q15022 1/20 0.38
▸ EZH2 Q15910 1/20 0.38
▸ AEBP2 Q6ZN18 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL5895200 0.86 GPR119 (0.43) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL31184024 0.79 KDM4E (0.45) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL16914367 0.79 KDM4E (0.45) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL20385872 0.79 KDM4E (0.45) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL4792848 0.79 DDB1 (0.43) DDB1CRBNMAPTDPP4KDM4E
SCHEMBL5895894 0.78 DDB1 (0.47) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL16925178 0.78 KDM4E (0.44) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL29498092 0.78 KDM4E (0.44) DDB1CRBNMAPTKDM4ETHRB
SCHEMBL3257440 0.77 HPGD (0.51) MAPTDPP4KDM4ETHRBHPGD
SCHEMBL5895563 0.76 KDM4E (0.43) DDB1CRBNMAPTKDM4ETHRB

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 4573/4885MAPT 4825/4885

“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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