SCHEMBL2791399

SCHEMBL2791399

COC(=O)c1cc(Cl)c(OC)cc1OCCCN1CCC(O)(c2ccc(Cl)cc2)C(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 9/20 0.43
DRD2 P14416 3/20 0.40
DRD3 P35462 2/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40
HTR4 Q13639 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR3A P46098 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2B P29275 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
SCHEMBL2796950 0.94 CCR1 (0.41) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2796537 0.92 CCR1 (0.44) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL13229919 0.92 CCR1 (0.42) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2792911 0.91 CCR1 (0.44) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2798248 0.90 HRH3 (0.41) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2798449 0.89 CCR1 (0.48) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2796573 0.89 DRD2 (0.42) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2792463 0.86 CCR1 (0.42) CCR1DRD2ALDH1A1
SCHEMBL13282872 0.82 CCR1 (0.45) CCR1DRD2DRD3HTR1ADRD1
SCHEMBL2793302 0.81 CCR1 (0.47) CCR1DRD2DRD3HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885DRD2 744/4885DRD3 622/4885

“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.