SCHEMBL14587773

SCHEMBL14587773

Cc1cccc(N2CCC(CC(C)(C)C)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.55
HTR3B O95264 2/20 0.55
HTR3A P46098 2/20 0.55
HTR3D Q70Z44 2/20 0.55
HTR3C Q8WXA8 2/20 0.55
PDE10A Q9Y233 1/20 0.49
KCNH2 Q12809 2/20 0.46
DRD4 P21917 1/20 0.42
GRIN2B Q13224 3/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
LCAT P04180 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL239880 0.84 PDE10A (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6030265 0.83 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4418429 0.82 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13806458 0.81 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1532625 0.80 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12736149 0.79 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2131162 0.79 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL1532775 0.78 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL4420033 0.78 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7276944 0.78 HTR3E (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 HTR3E 1153/4885HTR3B 214/4885HTR3A 979/4885

“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.