SCHEMBL3104705

SCHEMBL3104705

CCCCOc1cc(OCCCO)cc2[nH]c(-c3ccc(OCCc4ccc(Cl)cc4)c(OC)c3C3CCCC3)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.38
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR2B P41595 2/20 0.36
RHEB Q15382 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
CNR2 P34972 3/20 0.34
AMY1A P0DUB6 1/20 0.33
HRH4 Q9H3N8 9/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL1283933 0.84 GCGR (0.42) GCGRRHEBMAPK13MAPK12MAPK11
SCHEMBL1283342 0.74 ACHE (0.42) GCGRHTR2CSLC6A4HTR2BRHEB
SCHEMBL1283485 0.72 GCGR (0.44) GCGRRHEBMAPK13MAPK12MAPK11
SCHEMBL13314340 0.71 ACHE (0.46) GCGRRHEBMAPK13MAPK12MAPK11
SCHEMBL1615380 0.71 ACHE (0.47) CNR2HRH4
SCHEMBL1283220 0.69 HRH3 (0.44) HRH4
SCHEMBL1283618 0.68 P2RX3 (0.38) GCGR
SCHEMBL1283451 0.67 GCGR (0.46) GCGRRHEBMAPK13MAPK12MAPK11
SCHEMBL1282615 0.67 ACHE (0.46) GCGRRHEBMAPK13MAPK12MAPK11
SCHEMBL1614892 0.66 ACHE (0.44) GCGRRHEBMAPK13MAPK12MAPK11

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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B GCGR 18/4885HTR2C 4360/4885SLC6A4 3560/4885

“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.