SCHEMBL7603673

SCHEMBL7603673

CCn1nc(Cc2ccccc2)cc1C1CC2CN(C(=O)OC(C)(C)C)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
CCR5 P51681 16/20 0.44
KCNH2 Q12809 3/20 0.43
NR1H2 P55055 1/20 0.42
USP30 Q70CQ3 1/20 0.40
NPC1L1 Q9UHC9 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
SCHEMBL5451783 0.86 CCR5 (0.54) CCR5KCNH2NPC1L1
SCHEMBL7605901 0.83 JAK2 (0.46) JAK2JAK1CCR5NR1H2USP30
SCHEMBL5456416 0.77 CCR5 (0.51) CCR5KCNH2
SCHEMBL7544743 0.76 CCR5 (0.54) CCR5KCNH2
SCHEMBL7603913 0.75 CCR5 (0.43) CCR5KCNH2
SCHEMBL7608991 0.75 CCR5 (0.62) CCR5KCNH2
SCHEMBL7608985 0.75 CCR5 (0.62) CCR5KCNH2
SCHEMBL5452690 0.75 THRB (0.51) CCR5
SCHEMBL15803575 0.73 NR1H2 (0.55) JAK2JAK1NR1H2
SCHEMBL7604742 0.73 CCR5 (0.42) 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 JAK2 1989/4885JAK1 2188/4885CCR5 1/4885

“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.