SCHEMBL13314293

SCHEMBL13314293

CCCCn1c(-c2ccc(OCCc3ccc(Cl)cc3)cc2OCCN(CC)CC)nc2c(OCCCN(CC)CC)cc(OCCCN(CC)CC)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGER Q15109 7/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KDM4E B2RXH2 1/20 0.37
BIRC5 O15392 1/20 0.37
GCGR P47871 1/20 0.37
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTT P42858 1/20 0.36
ATP4A P20648 1/20 0.36
ATP4B P51164 1/20 0.36

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
SCHEMBL1283160 0.98 AGER (0.41) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL13314341 0.95 AGER (0.37) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL1283198 0.94 AGER (0.40) AGERDRD2DRD3KDM4E
SCHEMBL13314350 0.94 AGER (0.38) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL13314292 0.93 HRH3 (0.41) AGERADORA3ADORA2AADORA2BADORA1
SCHEMBL1283090 0.93 AGER (0.38) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL1283355 0.93 AGER (0.40) AGERDRD2DRD3KDM4EATP4A
SCHEMBL1615027 0.92 DRD2 (0.38) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL1282781 0.92 AGER (0.38) AGERDRD2DRD3ADORA3ADORA2A
SCHEMBL1283499 0.92 DRD2 (0.45) AGERDRD2DRD3ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 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-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 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-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B AGER 1/4885DRD2 4691/4885DRD3 4321/4885

“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.