SCHEMBL3870239

SCHEMBL3870239

CC(=O)Oc1ccccc1C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.42
KCNA3 P22001 1/20 0.42
CHRM1 P11229 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3870241 1.00 USP2 (0.45) USP2ALDH1A1KMT2AKCNA3CHRM1
SCHEMBL3877543 0.87 KDM4E (0.50) USP2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL3877541 0.87 KDM4E (0.50) USP2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL3879507 0.79 MT-CO2 (0.44) ALDH1A1KMT2ACHRM1MEN1MAPK1
SCHEMBL3879505 0.79 MT-CO2 (0.44) ALDH1A1KMT2ACHRM1MEN1MAPK1
SCHEMBL3856100 0.73 HPGD (0.60) ALDH1A1KMT2AMEN1MAPK1
SCHEMBL3974005 0.72 CCR2 (0.58) KMT2ACHRM1NPC1RAB9AMEN1
SCHEMBL3974004 0.72 CCR2 (0.58) KMT2ACHRM1NPC1RAB9AMEN1
SCHEMBL3870138 0.71 RXFP1 (0.52)
SCHEMBL3870136 0.71 RXFP1 (0.52)

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 USP2 2998/4885ALDH1A1 628/4885KMT2A 2987/4885

“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.