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SCHEMBL3869586

SCHEMBL3869586

O=C(COc1ccc(Cl)cc1)N[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 3/20 0.66
▸ LTA4H P09960 2/20 0.56
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ CXCR6 O00574 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ ADIPOR2 Q86V24 1/20 0.47
▸ ADIPOR1 Q96A54 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
SCHEMBL3869587 1.00 ATF4 (0.66) ATF4LTA4HMEN1KMT2AALDH1A1
SCHEMBL3872107 0.89 MCHR1 (0.61) ATF4POLB
SCHEMBL3872106 0.89 MCHR1 (0.61) ATF4POLB
SCHEMBL3871393 0.87 MCHR1 (0.53) ATF4LTA4HKMT2AALDH1A1CXCR6
SCHEMBL3871401 0.87 MCHR1 (0.53) ATF4LTA4HKMT2AALDH1A1CXCR6
SCHEMBL3869032 0.86 MCHR1 (0.51) ATF4LTA4HCXCR6POLBMAPT
SCHEMBL3869029 0.86 MCHR1 (0.51) ATF4LTA4HCXCR6POLBMAPT
SCHEMBL19705160 0.86 ATF4 (0.63) ATF4MEN1KMT2AALDH1A1LMNA
SCHEMBL19692514 0.86 ATF4 (0.63) ATF4MEN1KMT2AALDH1A1LMNA
SCHEMBL3871504 0.85 MEN1 (0.57) LTA4HMEN1KMT2ACXCR6POLB

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 9 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-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 claimed
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 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
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 ATF4 577/4885LTA4H 647/4885MEN1 4445/4885

“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.