SCHEMBL3879508

SCHEMBL3879508

O=C(CNC(=O)c1cccc(Cl)c1)NC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CCR2 P41597 5/20 0.61
OPRK1 P41145 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
KCNH2 Q12809 1/20 0.53
CXCR6 O00574 1/20 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
SCHEMBL13853132 1.00 MEN1 (0.63) MEN1KMT2ACCR2OPRK1L3MBTL1
SCHEMBL3869073 0.94 CCR2 (0.69) MEN1KMT2ACCR2OPRK1
SCHEMBL3870197 0.94 CCR2 (0.69) MEN1KMT2ACCR2OPRK1
SCHEMBL3869069 0.94 CCR2 (0.69) MEN1KMT2ACCR2OPRK1
SCHEMBL4668793 0.93 CCR2 (0.56) MEN1KMT2ACCR2OPRK1
SCHEMBL4668797 0.93 CCR2 (0.56) MEN1KMT2ACCR2OPRK1
SCHEMBL3870976 0.91 CCR2 (0.60) MEN1KMT2ACCR2OPRK1
SCHEMBL3870980 0.91 CCR2 (0.60) MEN1KMT2ACCR2OPRK1
SCHEMBL3869044 0.90 CCR2 (0.59) MEN1KMT2ACCR2OPRK1CXCR6
SCHEMBL3869049 0.90 CCR2 (0.59) MEN1KMT2ACCR2OPRK1CXCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP claimed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 US claimed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 MEN1 4445/4885KMT2A 2987/4885CCR2 6/4885

“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.