SCHEMBL2792463

SCHEMBL2792463

COc1cc(OCCCN2CCC(O)(c3ccc(Cl)cc3)C(C)(C)C2)c(NC(C)=O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.42
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
BRD4 O60885 1/20 0.38
DRD2 P14416 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
SCHEMBL2795862 0.91 CCR1 (0.44) CCR1
SCHEMBL2796522 0.90 DRD2 (0.48) CCR1DRD2
SCHEMBL2796996 0.89 CCR1 (0.45) CCR1ALDH1A1DRD2
SCHEMBL2798374 0.87 MAPT (0.39) CCR1USP2ALDH1A1HTTBRD4
SCHEMBL2791399 0.86 CCR1 (0.43) CCR1ALDH1A1DRD2
SCHEMBL2796537 0.85 CCR1 (0.44) CCR1ALDH1A1DRD2
SCHEMBL13229919 0.85 CCR1 (0.42) CCR1DRD2
SCHEMBL2795138 0.85 MAPT (0.40) CCR1USP2ALDH1A1HTTBRD4
SCHEMBL2792911 0.85 CCR1 (0.44) CCR1DRD2
SCHEMBL2798248 0.83 HRH3 (0.41) CCR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO claimed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US claimed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 CCR1 1/4885USP2 3687/4885ALDH1A1 1547/4885

“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.