SCHEMBL3869033

SCHEMBL3869033

O=C(NCC1CCCNC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.43
PBK Q96KB5 6/20 0.43
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
EPHX1 P07099 1/20 0.40
CHRM2 P08172 1/20 0.39
CHEK1 O14757 2/20 0.38
MLYCD O95822 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.38
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL14206764 1.00 CHRM3 (0.43) CHRM3PBKCPN1CPB2EPHX1
SCHEMBL14206404 1.00 CHRM3 (0.43) CHRM3PBKCPN1CPB2EPHX1
Hydrochloric Acid SCHEMBL3964071 0.98 CHRM3 (0.42) CHRM3PBKCPN1CPB2EPHX1
Hydrochloric Acid SCHEMBL3961008 0.98 CHRM3 (0.42) CHRM3PBKCPN1CPB2EPHX1
Hydrochloric Acid SCHEMBL3961006 0.98 CHRM3 (0.42) CHRM3PBKCPN1CPB2EPHX1
SCHEMBL870122 0.90 SLC6A1 (0.46) CHRM3EPHX1CHRM2KMT2ATLR9
SCHEMBL3451504 0.90 SLC6A1 (0.46) CHRM3EPHX1CHRM2KMT2ATLR9
SCHEMBL870123 0.90 SLC6A1 (0.46) CHRM3EPHX1CHRM2KMT2ATLR9
Hydrochloric Acid SCHEMBL2768568 0.89 SLC6A1 (0.44) CHRM3EPHX1CHRM2KMT2ATLR9
Hydrochloric Acid SCHEMBL2767309 0.89 SLC6A1 (0.44) CHRM3EPHX1CHRM2KMT2ATLR9

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 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
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
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US disclosed
US-20070254872-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-01 US 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 CHRM3 127/4885PBK 1355/4885CPN1 2525/4885
US-20070254872-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 CHRM3 4135/4885PBK 3439/4885CPN1 1827/4885

“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.