SCHEMBL3436847

SCHEMBL3436847

COc1ccc(N2CCC(CC(=O)O)CC2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.57
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
FFAR1 O14842 4/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3566647 0.83 HTR3E (0.55) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL3436583 0.83 HTR3E (0.57) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL2560547 0.79 FFAR4 (0.78) FFAR4FFAR1KMT2AMEN1ALDH1A1
SCHEMBL21233805 0.79 FFAR4 (0.78) FFAR4
SCHEMBL3559786 0.79 HTR3E (0.58) FFAR4HTR3EHTR3BHTR3AHTR3D
SCHEMBL3436572 0.79 ALDH1A1 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436337 0.78 FFAR4 (0.54) FFAR4FFAR1
SCHEMBL8915331 0.74 FFAR4 (0.52) FFAR4
SCHEMBL16482932 0.73 FFAR4 (1.00) FFAR4
SCHEMBL3436540 0.73 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 FFAR4 392/4885HTR3E 1490/4885HTR3B 1692/4885

“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.