SCHEMBL16577010

SCHEMBL16577010

CC(C)(C)OC(=O)N[C@@H]1CC[C@](CCCC(C)(C)[Si](C)(C)O)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 18/20 0.48
▸ CCR1 P32246 1/20 0.48
▸ TMEM97 Q5BJF2 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ KCNH2 Q12809 6/20 0.46
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL16573788 0.89 CCR2 (0.51) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL16573787 0.87 CCR2 (0.49) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226471 0.86 CCR2 (0.53) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL15325891 0.85 CCR2 (0.44) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL18699975 0.82 CCR2 (0.47) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226272 0.81 CCR2 (0.67) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226456 0.80 CCR2 (0.59) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226449 0.80 CCR2 (0.60) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226257 0.80 CCR2 (0.62) CCR2CCR1TMEM97SIGMAR1KCNH2
SCHEMBL13226415 0.80 CCR2 (0.64) CCR2KCNH2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150532-B2 Fused cyclopentyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-10-06 — — US disclosed
US-20150080588-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (US) 2015-03-19 — — 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-20150080588-A1 FUSED CYCLOPENTYL ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 CCR2 1/4885CCR1 3/4885TMEM97 1968/4885

“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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