SCHEMBL13853136

SCHEMBL13853136

C=CCOC(=O)N1[C@@H]2CC[C@H]1C[C@H](NC(=O)CNC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 10/20 0.48
CHRM1 P11229 1/20 0.46
CCR2 P41597 4/20 0.43
KCNH2 Q12809 1/20 0.43
YAP1 P46937 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL13853135 1.00 RXFP1 (0.48) RXFP1CHRM1CCR2KCNH2YAP1
SCHEMBL3870136 0.87 RXFP1 (0.52) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3870138 0.87 RXFP1 (0.52) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3871377 0.87 RXFP1 (0.52) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL13686576 0.87 RXFP1 (0.44) RXFP1CCR2YAP1TEAD4TEAD2
SCHEMBL3870994 0.86 POLB (0.42) RXFP1CHRM1YAP1TEAD4TEAD2
SCHEMBL4178969 0.85 CCR2 (0.58) CHRM1CCR2KCNH2
SCHEMBL13686583 0.85 CCR2 (0.58) CHRM1CCR2KCNH2
SCHEMBL3873813 0.81 RXFP1 (0.56) RXFP1CCR2KCNH2YAP1TEAD4
SCHEMBL3879506 0.81 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 347/4885CHRM1 394/4885CCR2 6/4885

“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.