SCHEMBL3870686

SCHEMBL3870686

Cc1ccc(OCC(=O)NC2CC3CCC(C2)N3Cc2ccc(Cl)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 2/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.50
FAAH O00519 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
S1PR4 O95977 1/20 0.47
CXCR6 O00574 1/20 0.47
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.45
MCHR1 Q99705 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL3870684 1.00 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3876903 0.93 SMN1; SMN2 (0.67) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3876901 0.93 SMN1; SMN2 (0.67) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3869975 0.90 NPC1 (0.58) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3869973 0.90 NPC1 (0.58) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3869176 0.88 SMN1; SMN2 (0.65) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3869174 0.88 SMN1; SMN2 (0.65) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL4159820 0.88 SMN1; SMN2 (0.58) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL3873732 0.85 MEN1 (0.53) SMN1; SMN2KMT2ANPC1RAB9AMEN1
SCHEMBL3873729 0.85 MEN1 (0.53) SMN1; SMN2KMT2ANPC1RAB9AMEN1

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 SMN1; SMN2 2591/4885KMT2A 2987/4885NPC1 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.