SCHEMBL10287520

SCHEMBL10287520

O=C(O)c1ccc2c(c1)/C(=C/CCN1CCC(c3ccc(Cl)cc3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR5 P51681 1/20 0.41
▸ LTA4H P09960 2/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ MCHR1 Q99705 7/20 0.36
▸ HRH1 P35367 2/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ CCR2 P41597 2/20 0.34

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
SCHEMBL13824236 0.89 DRD2 (0.36) DRD2MCHR1DRD4DRD3CCR2
SCHEMBL13824430 0.88 DRD2 (0.35) LTA4HDRD2MCHR1DRD4DRD3
SCHEMBL12121932 0.88 DRD2 (0.36) DRD2DRD4DRD3CCR2
SCHEMBL13824482 0.87 DRD2 (0.40) CHRM2CCR1CCR5DRD2HRH1
SCHEMBL13824224 0.86 MCHR1 (0.34) CHRM2CCR1CCR5DRD2MCHR1
SCHEMBL13617241 0.85 DRD2 (0.39) DRD2MCHR1DRD4DRD3CCR2
SCHEMBL13617082 0.84 DRD2 (0.39) DRD2MCHR1DRD4DRD3CCR2
SCHEMBL12121936 0.83 HTR2A (0.37) DRD2MCHR1DRD4DRD3CCR2
SCHEMBL12121934 0.77 DRD2 (0.36) DRD2MCHR1DRD4DRD3
SCHEMBL10287605 0.77 DRD2 (0.41) CCR1DRD2HRH1DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CHRM2 747/4885CCR1 9/4885CCR5 4/4885

“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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