SCHEMBL2518892

SCHEMBL2518892

Cc1ccc(N(CCCCl)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.61
KCNH2 Q12809 1/20 0.50

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
SCHEMBL4777193 0.93 CCR5 (0.67) CCR5
SCHEMBL4775197 0.85 NPSR1 (0.56) CCR5
SCHEMBL2519138 0.85 CCR5 (0.67) CCR5KCNH2
SCHEMBL4768738 0.84 POLB (0.56) CCR5
SCHEMBL2519151 0.84 CCR5 (0.51) CCR5KCNH2
SCHEMBL14436618 0.84 CCR5 (0.56) CCR5KCNH2
SCHEMBL4777713 0.81 CCR5 (0.89) CCR5KCNH2
SCHEMBL4768582 0.81 CCR5 (0.89) CCR5KCNH2
SCHEMBL3034563 0.80 CCR5 (0.90) CCR5KCNH2
SCHEMBL30227460 0.80 CCR5 (0.90) CCR5KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410094-B2 Amide compounds, their pharmaceutical compositions, their preparation method and their uses SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2013-04-02 US disclosed
US-20110251192-A1 AMIDE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR PREPARATION METHOD AND THEIR USES SHANGHAI TARGETDRUG CO., LTD. (CN) 2011-10-13 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-20110251192-A1 AMIDE COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS, THEIR PREPARATION METHOD AND THEIR USES CCR5, CCR8, CXCR1 CCR5 1/4885KCNH2 2261/4885

“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.