SCHEMBL13616996

SCHEMBL13616996

CCC(C)C(O)(CCNCC/C=C1/c2cc(C(C)(C)O)ccc2OCc2ncccc21)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.55
▸ CHRM2 P08172 1/20 0.40
▸ CCR5 P51681 1/20 0.40
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL653939 0.85 CCR1 (0.59) CCR1CHRM2CCR5HTR2B
SCHEMBL653940 0.85 CCR1 (0.59) CCR1CHRM2CCR5HTR2B
SCHEMBL12936663 0.81 CCR1 (0.56) CCR1CHRM2CCR5HTR2B
SCHEMBL18633825 0.80 CCR1 (0.52) CCR1CHRM2CCR5HTR2B
SCHEMBL13292243 0.78 CCR1 (0.47) CCR1CHRM2CCR5
SCHEMBL436923 0.76 CCR1 (0.59) CCR1CHRM2CCR5
SCHEMBL436922 0.76 CCR1 (0.59) CCR1CHRM2CCR5
SCHEMBL14579805 0.76 CCR1 (0.59) CCR1CHRM2CCR5
SCHEMBL15478327 0.75 CCR1 (0.70) CCR1CHRM2CCR5HTR2B
SCHEMBL652907 0.75 CCR1 (0.56) CCR1CHRM2CCR5HTR2B

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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR1 10/4885CHRM2 1772/4885CCR5 6/4885

“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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