SCHEMBL10287677

SCHEMBL10287677

CC1CN(CC/C=C2\C3=CC=CNC3COc3ccc(C(C)(C)O)cc32)CC[C@@]1(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ SLC6A3 Q01959 2/20 0.32

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
SCHEMBL15478375 0.84 CCR1 (0.50) CCR1SLC6A3
SCHEMBL15478420 0.82 CCR1 (0.37) CCR1SLC6A3
SCHEMBL18895930 0.81 CCR1 (0.43) CCR1
SCHEMBL18633827 0.80 CCR1 (0.39) CCR1
SCHEMBL14420045 0.79 CCR1 (0.40) CCR1
SCHEMBL13824459 0.77 CCR1 (0.40) CCR1
SCHEMBL15478377 0.77 CCR1 (0.39) CCR1
SCHEMBL18896010 0.76 CCR1 (0.39) CCR1
SCHEMBL13824447 0.76 CCR1 (0.39) CCR1
SCHEMBL15478333 0.74 DRD2 (0.40) CCR1

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 CCR1 9/4885SLC6A3 1141/4885

“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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