SCHEMBL3870004

SCHEMBL3870004

N#Cc1ccccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
CXCR6 O00574 1/20 0.46
OPRK1 P41145 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LTA4H P09960 1/20 0.43
NPC1 O15118 1/20 0.43
ATF4 P18848 1/20 0.43

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
SCHEMBL3870007 1.00 L3MBTL1 (0.48) L3MBTL1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL3869677 0.85 ALDH1A1 (0.57) MAPK1MAPTSMN1; SMN2CXCR6OPRK1
SCHEMBL3869675 0.85 ALDH1A1 (0.57) MAPK1MAPTSMN1; SMN2CXCR6OPRK1
SCHEMBL3870203 0.84 MAPT (0.48) L3MBTL1MAPK1MAPTCXCR6OPRK1
SCHEMBL3870205 0.84 MAPT (0.48) L3MBTL1MAPK1MAPTCXCR6OPRK1
SCHEMBL3871017 0.83 KCNH2 (0.56) L3MBTL1MAPK1MAPTCXCR6OPRK1
SCHEMBL3871013 0.83 KCNH2 (0.56) L3MBTL1MAPK1MAPTCXCR6OPRK1
SCHEMBL3869174 0.83 SMN1; SMN2 (0.65) L3MBTL1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL3869176 0.83 SMN1; SMN2 (0.65) L3MBTL1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL3869587 0.81 ATF4 (0.66) MAPK1MAPTCXCR6OPRK1MEN1

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 9 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
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 L3MBTL1 2589/4885RAB9A 2630/4885MAPK1 730/4885

“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.