SCHEMBL5895200

SCHEMBL5895200

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ RECQL P46063 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40

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
SCHEMBL5895430 0.86 DDB1 (0.42) GPR119MAPTNPC1ALDH1A1MAPK1
SCHEMBL16914367 0.82 KDM4E (0.45) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL31184024 0.82 KDM4E (0.45) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL20385872 0.82 KDM4E (0.45) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL29498092 0.81 KDM4E (0.44) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL16925178 0.81 KDM4E (0.44) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL5895563 0.80 KDM4E (0.43) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL5895894 0.78 DDB1 (0.47) GPR119MAPTKDM4ETHRBDDB1
SCHEMBL5895810 0.77 ALDH1A1 (0.43) GPR119MAPTNPC1ALDH1A1MAPK1
SCHEMBL4792848 0.76 DDB1 (0.43) GPR119MAPTKDM4ETHRBDDB1

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 GPR119 87/4885MAPT 4825/4885NPC1 687/4885

“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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