SCHEMBL3373318

SCHEMBL3373318

c1cnc2cc(C34CNCC3C4)ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.57
SLC6A4 P31645 10/20 0.57
SLC6A3 Q01959 10/20 0.57
KCNH2 Q12809 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57

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
SCHEMBL3471202 0.83 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL31749326 0.75 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL14584281 0.74 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL13151602 0.74 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL13069610 0.74 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL3469707 0.74 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Amitifadine SCHEMBL9604846 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Amitifadine SCHEMBL378061 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
Amitifadine SCHEMBL2855353 0.73 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL4715651 0.73 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919908-B1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2010-11-10 EP disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-7799815-B2 Triazole derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-09-21 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1919908-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-05-14 EP disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
WO-2007022933-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 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-20090221593-A1 TRIAZOLE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR5A, HTR3C SLC6A2 205/4885SLC6A4 134/4885SLC6A3 5/4885

“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.