SCHEMBL3102902

SCHEMBL3102902

[CH2]CCOc1cc(OCCCN(CC)CC)cc2c1nc(-c1ccc(OCCc3ccc(Cl)cc3)cc1OCc1ccncc1)n2CCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.38
AGER Q15109 8/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
KCNA5 P22460 2/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ATP4A P20648 1/20 0.31
ATP4B P51164 1/20 0.31

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
SCHEMBL1283164 0.97 GCGR (0.40) GCGRAGERMAPK13MAPK12MAPK11
SCHEMBL3107760 0.92 KCNA5 (0.36) GCGRAGERDRD2DRD3KCNA5
SCHEMBL1283160 0.90 AGER (0.41) GCGRAGERDRD2DRD3KDM4E
SCHEMBL13314293 0.89 AGER (0.40) GCGRAGERDRD2DRD3KDM4E
SCHEMBL1283486 0.88 KCNA5 (0.38) GCGRAGERDRD2DRD3KCNA5
SCHEMBL3104726 0.88 HRH3 (0.39) AGERDRD2DRD3
SCHEMBL1615007 0.87 KCNH2 (0.40) AGER
SCHEMBL1615461 0.87 DRD2 (0.39) GCGRAGERDRD2DRD3KCNA5
SCHEMBL1283198 0.86 AGER (0.40) AGERDRD2DRD3CRHR1KDM4E
SCHEMBL1283355 0.86 AGER (0.40) AGERDRD2DRD3KDM4EHTR2A

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 GCGR 18/4885AGER 1/4885MAPK13 1484/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B GCGR 18/4885AGER 1/4885MAPK13 1432/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B GCGR 18/4885AGER 1/4885MAPK13 1432/4885

“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.