SCHEMBL3871471

SCHEMBL3871471

O=C(CNC(=O)c1ccccc1Oc1ccccc1)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
ATM Q13315 1/20 0.56
LTA4H P09960 4/20 0.51
OPRK1 P41145 1/20 0.49
CCR2 P41597 1/20 0.48
CCR3 P51677 2/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL3871473 1.00 L3MBTL1 (0.56) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL3869568 0.85 L3MBTL1 (0.53) L3MBTL1CCR2CCR3MAPTMAPK1
SCHEMBL3869575 0.85 L3MBTL1 (0.53) L3MBTL1CCR2CCR3MAPTMAPK1
SCHEMBL3880157 0.84 CCR2 (0.56) L3MBTL1CCR2MAPTMAPK1
SCHEMBL3880161 0.84 CCR2 (0.56) L3MBTL1CCR2MAPTMAPK1
SCHEMBL3877543 0.84 KDM4E (0.50) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL3877541 0.84 KDM4E (0.50) L3MBTL1ALDH1A1GAAHPGDHTT
SCHEMBL3869655 0.83 CCR2 (0.67) L3MBTL1OPRK1CCR2MAPTMAPK1
SCHEMBL3869651 0.83 CCR2 (0.67) L3MBTL1OPRK1CCR2MAPTMAPK1
SCHEMBL3869058 0.83 L3MBTL1 (0.51) L3MBTL1LTA4HCCR2MAPTMAPK1

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 10 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
US-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-08-07 US 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
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 (2 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-20140221492-A1 DEUTERATED 2-AMINO-3-HYDROXYPROPANOIC ACID DERIVATIVES GRIN3A, GRIK5, GRIN2A L3MBTL1 2900/4885ALDH1A1 2766/4885GAA 3252/4885
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 L3MBTL1 2589/4885ALDH1A1 628/4885GAA 4088/4885

“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.