SCHEMBL14475650

SCHEMBL14475650

CC1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)O)(C(C)C)C1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.57
▸ CCR5 P51681 3/20 0.52

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
SCHEMBL14458827 1.00 CCR2 (0.57) CCR2CCR5
SCHEMBL14100841 0.84 CCR2 (0.61) CCR2CCR5
SCHEMBL14599227 0.84 CCR2 (0.61) CCR2CCR5
SCHEMBL14599228 0.84 CCR2 (0.61) CCR2CCR5
SCHEMBL4821868 0.81 CCR2 (0.57) CCR2CCR5
SCHEMBL14458770 0.79 CCR2 (0.55) CCR2CCR5
SCHEMBL14011028 0.75 CCR2 (0.63) CCR2CCR5
SCHEMBL18901543 0.75 CCR2 (0.63) CCR2CCR5
SCHEMBL3326857 0.75 CCR2 (0.63) CCR2CCR5
SCHEMBL14169517 0.74 CCR2 (1.00) CCR2

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-20070155731-A1 Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-07-05 — — 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-20070155731-A1 Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity CCR2, ACKR3, CCR7 CCR2 1/4885CCR5 7/4885

“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.

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