SCHEMBL3873002

SCHEMBL3873002

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 1/20 0.54
LTA4H P09960 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD3 P35462 1/20 0.52
CCR3 P51677 4/20 0.49
CYP2D6 P10635 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL3873003 1.00 OPRK1 (0.58) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL3874162 0.90 KMT2A (0.56) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL3874160 0.90 KMT2A (0.56) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL22582542 0.84 KMT2A (0.67) OPRK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22582539 0.84 KMT2A (0.67) OPRK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL22582544 0.84 KMT2A (0.67) OPRK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3875028 0.83 OPRK1 (0.63) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL3875025 0.83 OPRK1 (0.63) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL4855029 0.81 KMT2A (0.71) OPRK1MEN1KMT2AMAPTLTA4H
SCHEMBL3872086 0.80 SIGMAR1 (0.67) OPRK1MEN1KMT2AMAPTSMN1; SMN2

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 OPRK1 62/4885MEN1 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.