SCHEMBL3870136

SCHEMBL3870136

O=C(CNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.52
CCR2 P41597 9/20 0.49
KCNH2 Q12809 7/20 0.49
YAP1 P46937 1/20 0.48
TEAD4 Q15561 1/20 0.48
TEAD2 Q15562 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL3870138 1.00 RXFP1 (0.52) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3871377 1.00 RXFP1 (0.52) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3872474 0.92 RXFP1 (0.50) RXFP1CCR2YAP1TEAD4TEAD2
SCHEMBL3872477 0.92 RXFP1 (0.50) RXFP1CCR2YAP1TEAD4TEAD2
SCHEMBL3879505 0.88 MT-CO2 (0.44) HTTL3MBTL1
SCHEMBL3879507 0.88 MT-CO2 (0.44) HTTL3MBTL1
SCHEMBL13853135 0.87 RXFP1 (0.48) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL13853136 0.87 RXFP1 (0.48) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3873813 0.87 RXFP1 (0.56) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3879506 0.87 RXFP1 (0.56) RXFP1CCR2KCNH2YAP1TEAD4

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 RXFP1 347/4885CCR2 6/4885KCNH2 3671/4885

“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.