SCHEMBL3874162

SCHEMBL3874162

O=C(NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
LTA4H P09960 1/20 0.51
CXCR6 O00574 1/20 0.51
OPRK1 P41145 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
XBP1 P17861 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AVPR1A P37288 1/20 0.46

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
SCHEMBL3874160 1.00 KMT2A (0.56) KMT2AMEN1MAPTMAPK1LTA4H
SCHEMBL3873003 0.90 OPRK1 (0.58) KMT2AMEN1MAPTLTA4HOPRK1
SCHEMBL3873002 0.90 OPRK1 (0.58) KMT2AMEN1MAPTLTA4HOPRK1
SCHEMBL22582544 0.84 KMT2A (0.67) KMT2AMEN1MAPTMAPK1OPRK1
SCHEMBL22582539 0.84 KMT2A (0.67) KMT2AMEN1MAPTMAPK1OPRK1
SCHEMBL22582542 0.84 KMT2A (0.67) KMT2AMEN1MAPTMAPK1OPRK1
SCHEMBL3869200 0.82 MEN1 (0.59) KMT2AMEN1MAPTMAPK1LTA4H
SCHEMBL3869202 0.82 MEN1 (0.59) KMT2AMEN1MAPTMAPK1LTA4H
SCHEMBL3871504 0.81 MEN1 (0.57) KMT2AMEN1MAPTMAPK1LTA4H
SCHEMBL13853081 0.81 MEN1 (0.57) KMT2AMEN1MAPTMAPK1LTA4H

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 KMT2A 2987/4885MEN1 4445/4885MAPT 4128/4885

“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.