SCHEMBL10066652

SCHEMBL10066652

CC(C)(C)C1CNc2ccncc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL10100736 0.86 ADORA3 (0.33)
SCHEMBL21316477 0.76 EPHX2 (0.35)
SCHEMBL8931361 0.76 EPHX2 (0.35)
SCHEMBL12180972 0.76 CHRNB2 (0.34) FDPSCHRNB2CHRNA4CHRNA7
SCHEMBL29332787 0.76 EPHX2 (0.35)
SCHEMBL16168496 0.72 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA7
SCHEMBL10081671 0.71 CDC7 (0.38) CHRNB2CHRNA4CHRNA7
SCHEMBL10081683 0.71 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA7
SCHEMBL22792460 0.70 ADORA3 (0.30)
SCHEMBL5021307 0.68 FDPS (0.59) FDPSCHRNB2CHRNA4CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921559-B2 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-30 US disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 US disclosed
US-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-06-07 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-20120142733-A1 4-SUBSTITUTED-CYCLOHEXYLAMINO-4-PIPERIDINYL-ACETAMIDE ANTAGONISTS OF CCR2 CCR2, CCR5, CCR1 FDPS 2470/4885CHRNB2 645/4885CHRNA4 346/4885

“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.