SCHEMBL3869616

SCHEMBL3869616

O=C(CNC(=O)C1c2ccccc2Oc2ccccc21)NC1CC2CCC(C1)N2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
CCR1 P32246 6/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL3869613 1.00 LMNA (0.49) LMNAPOLBKMT2AMEN1MAPK1
SCHEMBL3869991 0.82 MAPK1 (0.46) LMNAPOLBKMT2AMEN1MAPK1
SCHEMBL3869989 0.82 MAPK1 (0.46) LMNAPOLBKMT2AMEN1MAPK1
SCHEMBL3871508 0.73 KMT2A (0.49) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL3871510 0.73 KMT2A (0.49) KMT2AMEN1MAPK1TDP1ALDH1A1
SCHEMBL3871378 0.72 CCR1 (0.47) KMT2AMEN1MAPK1MAPTCCR1
SCHEMBL3871380 0.72 CCR1 (0.47) KMT2AMEN1MAPK1MAPTCCR1
SCHEMBL3879507 0.70 MT-CO2 (0.44) KMT2AMEN1MAPK1L3MBTL1CHRM1
SCHEMBL3879505 0.70 MT-CO2 (0.44) KMT2AMEN1MAPK1L3MBTL1CHRM1
SCHEMBL3877543 0.69 KDM4E (0.50) KMT2AMEN1MAPK1MAPTL3MBTL1

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 LMNA 3856/4885POLB 1794/4885KMT2A 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.