SCHEMBL4905013

SCHEMBL4905013

CN(C(=O)NC1CCNCC1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.56
CCR5 P51681 5/20 0.56
KCNH2 Q12809 5/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL4905459 0.94 NPY5R (0.64) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4909520 0.89 CCR5 (0.57) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4915700 0.88 NPY5R (0.56) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4915570 0.86 CCR5 (0.55) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4911584 0.86 CCR5 (0.60) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4912506 0.84 CCR5 (0.64) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4907548 0.83 CCR5 (0.61) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4914739 0.81 CCR5 (0.63) NPY5RCCR5KCNH2CYP3A4CYP2D6
SCHEMBL4907607 0.81 CCR5 (0.69) CCR5KCNH2CYP3A4CYP2D6
SCHEMBL4909296 0.80 CCR5 (0.71) CCR5KCNH2CYP3A4CYP2D6

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-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 NPY5R 66/4885CCR5 1/4885KCNH2 2817/4885

“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.