SCHEMBL3974005

SCHEMBL3974005

O=C(CNC(=O)c1cccc(Cl)c1)NC1CC2CCC(C1)N2C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 10/20 0.58
CHRM1 P11229 1/20 0.55
GRM5 P41594 2/20 0.49
GPR139 Q6DWJ6 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CACNA1H O95180 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 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
SCHEMBL3974004 1.00 CCR2 (0.58) CCR2CHRM1GRM5GPR139MEN1
SCHEMBL3872045 0.89 CHRM1 (0.58) CCR2CHRM1GRM5MEN1KMT2A
SCHEMBL3872046 0.89 CHRM1 (0.58) CCR2CHRM1GRM5MEN1KMT2A
SCHEMBL3879508 0.86 MEN1 (0.63) CCR2MEN1KMT2AL3MBTL1KCNH2
SCHEMBL13853132 0.86 MEN1 (0.63) CCR2MEN1KMT2AL3MBTL1KCNH2
SCHEMBL3873787 0.84 CCR2 (0.66) CCR2MEN1KMT2AKCNH2
SCHEMBL3870197 0.84 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3869073 0.84 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3869069 0.84 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3873789 0.84 CCR2 (0.66) CCR2MEN1KMT2AKCNH2

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 4 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
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 CCR2 6/4885CHRM1 394/4885GRM5 1214/4885

“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.