SCHEMBL3872045

SCHEMBL3872045

O=C(CCNC(=O)c1cccc(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.58
DHODH Q02127 1/20 0.54
GRM5 P41594 5/20 0.50
CCR2 P41597 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CACNA1H O95180 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR1 P34998 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
SCHEMBL3872046 1.00 CHRM1 (0.58) CHRM1DHODHGRM5CCR2L3MBTL1
SCHEMBL3974004 0.89 CCR2 (0.58) CHRM1GRM5CCR2L3MBTL1NPC1
SCHEMBL3974005 0.89 CCR2 (0.58) CHRM1GRM5CCR2L3MBTL1NPC1
SCHEMBL3875809 0.85 CCR2 (0.57) CHRM1DHODHCCR2CACNA1HMEN1
SCHEMBL3875804 0.85 CCR2 (0.57) CHRM1DHODHCCR2CACNA1HMEN1
SCHEMBL3880147 0.85 CCR2 (0.57) CHRM1DHODHCCR2CACNA1HMEN1
SCHEMBL3869039 0.82 DHODH (0.57) DHODHGRM5CCR2L3MBTL1NPC1
SCHEMBL3869036 0.82 DHODH (0.57) DHODHGRM5CCR2L3MBTL1NPC1
SCHEMBL3870254 0.79 EPHX2 (0.63) MEN1KMT2A
SCHEMBL3869194 0.79 EPHX2 (0.63) MEN1KMT2A

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 CHRM1 394/4885DHODH 4148/4885GRM5 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.