SCHEMBL3875799

SCHEMBL3875799

NC(=O)Nc1cc(Br)ccc1OCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
CCR5 P51681 2/20 0.45
CXCR6 O00574 1/20 0.45
MAPK1 P28482 1/20 0.43
MCHR1 Q99705 1/20 0.43
CCR1 P32246 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR3 P25089 1/20 0.42
GPR65 Q8IYL9 1/20 0.42
GPR35 Q9HC97 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
SCHEMBL3873055 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL3869170 0.93 CCR1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL3869555 0.93 CCR1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL3869168 0.93 CCR1 (0.48) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL4669891 0.91 CCR5 (0.43) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL4669889 0.91 CCR5 (0.43) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL3868699 0.90 CCR1 (0.51) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL3868695 0.90 CCR1 (0.51) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL4669555 0.89 CCR1 (0.45) SMN1; SMN2NPC1RAB9ALMNAHPGD
SCHEMBL4669557 0.89 CCR1 (0.45) SMN1; SMN2NPC1RAB9ALMNAHPGD

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
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

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 2591/4885NPC1 279/4885RAB9A 2630/4885

“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.