SCHEMBL3107760

SCHEMBL3107760

[CH2]CCOc1cc(OCCCN(CC)CC)cc2c1nc(-c1ccc(OCCc3ccc(Cl)cc3)cc1OCc1cccnc1)n2CCCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
AGER Q15109 4/20 0.34
GRM2 Q14416 3/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
HIF1A Q16665 1/20 0.33
GCGR P47871 1/20 0.33
ALOX5 P09917 1/20 0.33
ALOX5AP P20292 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL1283486 0.97 KCNA5 (0.38) KCNA5CYP11B1CYP11B2AGERGRM2
SCHEMBL3102902 0.92 GCGR (0.38) KCNA5CYP11B1CYP11B2AGERDRD2
SCHEMBL1283107 0.89 DRD3 (0.45) KCNA5AGERGRM2DRD2DRD3
SCHEMBL1283164 0.89 GCGR (0.40) KCNA5CYP11B1CYP11B2AGERDRD2
SCHEMBL1283160 0.88 AGER (0.41) AGERDRD2DRD3GCGR
SCHEMBL13314293 0.86 AGER (0.40) AGERDRD2DRD3GCGR
SCHEMBL1615461 0.86 DRD2 (0.39) KCNA5AGERDRD2DRD3GCGR
SCHEMBL3104726 0.86 HRH3 (0.39) AGERDRD2DRD3
SCHEMBL1283198 0.84 AGER (0.40) AGERDRD2DRD3
SCHEMBL1283355 0.84 AGER (0.40) AGERDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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 (3 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KCNA5 2867/4885CYP11B1 112/4885CYP11B2 184/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KCNA5 2897/4885CYP11B1 157/4885CYP11B2 244/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B KCNA5 2897/4885CYP11B1 157/4885CYP11B2 244/4885

“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.