SCHEMBL3871017

SCHEMBL3871017

NC(=O)c1ccccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
OPRK1 P41145 2/20 0.52
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CXCR6 O00574 1/20 0.46
TSHR P16473 1/20 0.45
DRD3 P35462 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
SCHEMBL3871013 1.00 KCNH2 (0.56) KCNH2MEN1KMT2ANPSR1OPRK1
SCHEMBL3873441 0.90 NPC1 (0.53) KCNH2MEN1KMT2AOPRK1ALDH1A1
SCHEMBL3873444 0.90 NPC1 (0.53) KCNH2MEN1KMT2AOPRK1ALDH1A1
SCHEMBL3869677 0.88 ALDH1A1 (0.57) OPRK1MAPTMAPK1ALDH1A1CXCR6
SCHEMBL3869675 0.88 ALDH1A1 (0.57) OPRK1MAPTMAPK1ALDH1A1CXCR6
SCHEMBL4671746 0.88 RAB9A (0.51) KCNH2MEN1KMT2ANPSR1OPRK1
SCHEMBL4671748 0.88 RAB9A (0.51) KCNH2MEN1KMT2ANPSR1OPRK1
SCHEMBL4668374 0.86 NPC1 (0.47) KCNH2MEN1KMT2ANPSR1OPRK1
SCHEMBL4668370 0.86 NPC1 (0.47) KCNH2MEN1KMT2ANPSR1OPRK1
SCHEMBL3870205 0.85 MAPT (0.48) MEN1KMT2ANPSR1OPRK1MAPT

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 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

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 KCNH2 3671/4885MEN1 4445/4885KMT2A 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.