SCHEMBL7604524

SCHEMBL7604524

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 11/20 0.39
NTRK1 P04629 2/20 0.39
ARG1 P05089 3/20 0.37
RIPK1 Q13546 2/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL7606529 0.90 CCR5 (0.38) CCR5NTRK1ARG1KCNH2
SCHEMBL7939841 0.89 CCR5 (0.40) CCR5NTRK1ARG1RIPK1KCNH2
SCHEMBL7494075 0.89 CCR5 (0.40) CCR5NTRK1ARG1RIPK1KCNH2
SCHEMBL4104243 0.84 CCR5 (0.57) CCR5KCNH2HTR2CHTR2A
SCHEMBL7602870 0.83 CCR5 (0.44) CCR5NTRK1ARG1RIPK1HTR2C
SCHEMBL6105560 0.83 ARG1 (0.55) CCR5NTRK1ARG1RIPK1
SCHEMBL7492511 0.82 CCR5 (0.39) CCR5RIPK1KCNH2HTR2CHTR2A
SCHEMBL7940994 0.82 CCR5 (0.39) CCR5RIPK1KCNH2HTR2CHTR2A
SCHEMBL7931851 0.82 CCR5 (0.39) CCR5RIPK1KCNH2HTR2CHTR2A
SCHEMBL7658013 0.82 CCR5 (0.52) 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 1/4885NTRK1 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.