SCHEMBL6755243

SCHEMBL6755243

CCN(C(=O)Cc1ccc(F)cc1)C1CCN(N(CC)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.55
OPRM1 P35372 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
CYP2D6 P10635 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6298721 0.89 CCR5 (0.60) CCR5KCNH2
SCHEMBL6701710 0.86 CCR5 (0.66) CCR5KCNH2
SCHEMBL6705240 0.82 KCNH2 (0.62) CCR5OPRM1TMEM97KCNH2
SCHEMBL7084347 0.81 HTR2A (0.61) CCR5MEN1KMT2AHTR2ACYP2D6
SCHEMBL7603229 0.81 MEN1 (0.63) CCR5MEN1KMT2AHTR2ACYP2D6
SCHEMBL6755242 0.77 CCR5 (0.61) CCR5CHRM1HTR2AKCNH2
SCHEMBL9994976 0.76 OPRM1 (0.71) CCR5OPRM1TMEM97
SCHEMBL7601798 0.75 L3MBTL1 (0.64) CCR5OPRM1MEN1KMT2ACHRM1
SCHEMBL4164384 0.75 MEN1 (0.56) CCR5MEN1KMT2AHTR2ACYP2D6
SCHEMBL341871 0.75 OPRM1 (0.66) CCR5OPRM1TMEM97HTR2A

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-20040110794-A1 Novel piperidine derivatives as modulators of chemokine receptors ASTRAZENECA AB (SE) 2004-06-10 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-20040110794-A1 Novel piperidine derivatives as modulators of chemokine receptors CCR5, CCR2, CXCR1 CCR5 1/4885OPRM1 33/4885TMEM97 343/4885

“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.