SCHEMBL7602870

SCHEMBL7602870

CC(C)(CN1C[C@H](CO)[C@@H](c2cccc(F)c2)C1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.44
NTRK1 P04629 2/20 0.42
ARG1 P05089 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL7602936 0.86 CCR5 (0.43) CCR5NTRK1ARG1
SCHEMBL7938506 0.83 CCR5 (0.44) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7496849 0.83 CCR5 (0.44) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7604524 0.83 CCR5 (0.39) CCR5NTRK1ARG1HTR2AHTR2C
SCHEMBL7603221 0.83 NTRK1 (0.41) CCR5NTRK1ARG1HTR2AHTR2C
SCHEMBL7549348 0.79 CCR5 (0.57) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7931936 0.79 CCR5 (0.57) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7498060 0.79 CCR5 (0.57) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7931848 0.79 CCR5 (0.57) CCR5HTR2AHTR2CHTR2BRIPK1
SCHEMBL7552882 0.78 CCR5 (0.41) CCR5HTR2AHTR2CHTR2BRIPK1

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 1/4885NTRK1 2502/4885ARG1 43/4885

“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.