SCHEMBL1283441

SCHEMBL1283441

CCN(CC)CCOc1ccc2nc(-c3ccc(OCCc4ccc(Cl)cc4)cc3)n(CCN(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 9/20 0.52
DRD2 P14416 8/20 0.52
ACHE P22303 3/20 0.46
HTT P42858 1/20 0.46
AGER Q15109 2/20 0.43
MAPT P10636 1/20 0.43
EBP Q15125 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ESR1 P03372 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL1283360 0.95 DRD3 (0.54) DRD3DRD2ACHEHTTAGER
SCHEMBL1615093 0.94 ACHE (0.47) DRD3DRD2ACHEAGERMAPT
SCHEMBL1283496 0.92 DRD3 (0.59) DRD3DRD2ACHEHTTAGER
SCHEMBL1282921 0.91 DRD3 (0.55) DRD3DRD2ACHEHTTAGER
SCHEMBL1283237 0.89 AGER (0.48) DRD3DRD2ACHEAGERMAPT
SCHEMBL1283567 0.88 DRD2 (0.48) DRD3DRD2ACHEAGERMAPT
SCHEMBL1283284 0.88 DRD3 (0.60) DRD3DRD2AGERMAPT
SCHEMBL13347606 0.87 ACHE (0.48) DRD3DRD2ACHEAGERMAPT
SCHEMBL1283363 0.86 DRD3 (0.62) DRD3DRD2AGERMAPT
SCHEMBL1283083 0.85 DRD3 (0.56) DRD3DRD2ACHEHTTAGER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
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
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (4 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 DRD3 4032/4885DRD2 4530/4885ACHE 1276/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885ACHE 1301/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885ACHE 1301/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B DRD3 4321/4885DRD2 4691/4885ACHE 1301/4885

“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.