SCHEMBL7605797

SCHEMBL7605797

CCn1nc(Cc2ccccc2)cc1C1CCN(C[C@@H]2CN(CCC(C)CC(=O)O)C[C@@H]2c2cccc(F)c2)CC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.73
KCNH2 Q12809 4/20 0.72

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
SCHEMBL7605791 0.86 CCR5 (0.79) CCR5KCNH2
SCHEMBL7605795 0.86 CCR5 (0.79) CCR5KCNH2
SCHEMBL7604440 0.86 CCR5 (0.78) CCR5KCNH2
SCHEMBL7604436 0.86 CCR5 (0.78) CCR5KCNH2
SCHEMBL7608678 0.85 CCR5 (0.75) CCR5KCNH2
SCHEMBL7608672 0.85 CCR5 (0.75) CCR5KCNH2
SCHEMBL7545680 0.84 CCR5 (0.86) CCR5KCNH2
SCHEMBL7551381 0.84 CCR5 (0.86) CCR5KCNH2
SCHEMBL7548923 0.83 CCR5 (1.00) CCR5KCNH2
SCHEMBL7545620 0.83 CCR5 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 CCR5 1/4885KCNH2 3940/4885

“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.