SCHEMBL3871005

SCHEMBL3871005

CN(C)C(=O)Cc1cc(Cl)ccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
MCHR1 Q99705 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LTA4H P09960 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRK1 P41145 1/20 0.41
ATF4 P18848 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3871003 1.00 CXCR6 (0.47) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3870177 0.89 CXCR6 (0.49) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3870176 0.89 CXCR6 (0.49) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3870001 0.89 NPC1 (0.48) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3869999 0.89 NPC1 (0.48) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3871014 0.85 NPC1 (0.53) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3871011 0.85 NPC1 (0.53) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL4669826 0.82 NPC1 (0.50) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL4669827 0.82 NPC1 (0.50) CXCR6SMN1; SMN2LMNAHPGDMCHR1
SCHEMBL3871901 0.82 NPC1 (0.51) CXCR6SMN1; SMN2LMNAHPGDMCHR1

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 8 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-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP claimed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO 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
EP-1891064-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS Laboratorios Almirall, S.A. (ES) 2008-02-27 EP disclosed
WO-2006133802-A1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS LABORATORIOS ALMIRALL, S.A. (ES) 2006-12-21 WO 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 CXCR6 23/4885SMN1; SMN2 2591/4885LMNA 3856/4885

“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.