SCHEMBL3436583

SCHEMBL3436583

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.57
HTR3B O95264 1/20 0.57
HTR3A P46098 1/20 0.57
HTR3D Q70Z44 1/20 0.57
HTR3C Q8WXA8 1/20 0.57
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NEK2 P51955 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 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
SCHEMBL3436572 0.84 ALDH1A1 (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436847 0.83 FFAR4 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3436604 0.80 NOTUM (0.52) GAAHPGDNPSR1KDM4EUSP2
SCHEMBL4436054 0.80 GAA (0.58) KMT2AGAAMEN1ALDH1A1HPGD
SCHEMBL2070466 0.80 NOTUM (0.63) GAAHPGDNPSR1KDM4EUSP2
SCHEMBL3559786 0.79 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2074046 0.78 GAA (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5798727 0.77 NOTUM (0.59) KMT2AGAANEK2PDE4APDE4B
SCHEMBL18503838 0.77 KDM4E (0.50) KMT2AGAAALDH1A1HPGDNPSR1
SCHEMBL3436316 0.76 TSHR (0.58) ALDH1A1HPGDNPSR1KDM4EUSP2

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 5 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-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
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 HTR3E 1490/4885HTR3B 1692/4885HTR3A 746/4885

“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.