SCHEMBL3871869

SCHEMBL3871869

O=C(COc1ccc(Cl)cc1C(=O)O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 3/20 0.54
MCHR1 Q99705 1/20 0.50
CXCR6 O00574 1/20 0.49
LTA4H P09960 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CCR1 P32246 1/20 0.45
ATF4 P18848 1/20 0.45
ALDH1A1 P00352 1/20 0.45
OPRK1 P41145 1/20 0.44

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
SCHEMBL3871868 1.00 NPC1 (0.54) NPC1RAB9AMCHR1CXCR6LTA4H
SCHEMBL4669826 0.93 NPC1 (0.50) NPC1RAB9AMCHR1CXCR6LTA4H
SCHEMBL4669827 0.93 NPC1 (0.50) NPC1RAB9AMCHR1CXCR6LTA4H
SCHEMBL3873441 0.91 NPC1 (0.53) NPC1RAB9AMCHR1CXCR6LTA4H
SCHEMBL3873444 0.91 NPC1 (0.53) NPC1RAB9AMCHR1CXCR6LTA4H
SCHEMBL3871492 0.90 NPC1 (0.55) NPC1RAB9AMCHR1CXCR6SMN1; SMN2
SCHEMBL3871489 0.90 NPC1 (0.55) NPC1RAB9AMCHR1CXCR6SMN1; SMN2
SCHEMBL3870237 0.89 NPC1 (0.54) NPC1RAB9AMCHR1CXCR6SMN1; SMN2
SCHEMBL3870233 0.89 NPC1 (0.54) NPC1RAB9AMCHR1CXCR6SMN1; SMN2
SCHEMBL3871011 0.89 NPC1 (0.53) NPC1RAB9AMCHR1CXCR6LTA4H

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 6 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
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 NPC1 279/4885RAB9A 2630/4885MCHR1 414/4885

“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.