SCHEMBL4159820

SCHEMBL4159820

COC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1.O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 2/20 0.58
KMT2A Q03164 2/20 0.58
FAAH O00519 2/20 0.48
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
CXCR6 O00574 1/20 0.46
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL3876903 0.93 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3876901 0.93 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3871489 0.92 NPC1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3871492 0.92 NPC1 (0.55) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3870686 0.88 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3870684 0.88 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3869975 0.86 NPC1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3869973 0.86 NPC1 (0.58) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3869176 0.84 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A
SCHEMBL3869174 0.84 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1NPC1RAB9AKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 SMN1; SMN2 2591/4885ALDH1A1 628/4885NPC1 279/4885

“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.