SCHEMBL3869562

SCHEMBL3869562

O=C(Cc1cccc(Cl)c1)NCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
SIGMAR1 Q99720 5/20 0.53
CCR2 P41597 1/20 0.51
CXCR6 O00574 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
AVPR1A P37288 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL3869565 1.00 EPHX2 (0.54) EPHX2SIGMAR1CCR2CXCR6MAPT
SCHEMBL3869577 0.94 EPHX2 (0.60) EPHX2SIGMAR1CXCR6MAPTMAPK1
SCHEMBL3872069 0.94 EPHX2 (0.60) EPHX2SIGMAR1CXCR6MAPTMAPK1
SCHEMBL4671794 0.88 SIGMAR1 (0.44) EPHX2SIGMAR1CCR2CXCR6MAPT
SCHEMBL4671797 0.88 SIGMAR1 (0.44) EPHX2SIGMAR1CCR2CXCR6MAPT
SCHEMBL3869069 0.86 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3870197 0.86 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3869073 0.86 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3871796 0.84 MAPT (0.52) EPHX2CCR2CXCR6MAPTMAPK1
SCHEMBL3871794 0.84 MAPT (0.52) EPHX2CCR2CXCR6MAPTMAPK1

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 7 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
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
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
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 EPHX2 2154/4885SIGMAR1 180/4885CCR2 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.