SCHEMBL5713690

SCHEMBL5713690

c1cc(-c2ccsc2)cc(C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.58
DRD3 P35462 2/20 0.58
CYP2A6 P11509 3/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2E1 P05181 1/20 0.48
CCR5 P51681 1/20 0.48
PRMT6 Q96LA8 1/20 0.45
NOTUM Q6P988 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL5668465 0.92 DRD2 (0.61) DRD2DRD3CYP2A6CYP2B6CYP2E1
SCHEMBL4263279 0.81 DRD2 (0.51) DRD2DRD3CYP2A6CYP2B6CYP2E1
SCHEMBL9284654 0.79 DRD2 (0.46) DRD2DRD3CYP2A6CYP2B6CYP2E1
SCHEMBL4350314 0.78 CYP2A6 (0.68) DRD2DRD3CYP2A6CYP2B6CYP2E1
SCHEMBL27948099 0.77 NPC1 (0.48) DRD2NOTUMKCNH2
SCHEMBL5713686 0.76 CYP2A6 (0.54) DRD2DRD3CYP2A6CYP2B6CYP2E1
SCHEMBL7354177 0.75 DRD3 (1.00) DRD2DRD3DRD4
SCHEMBL7354169 0.75 DRD3 (1.00) DRD2DRD3DRD4
SCHEMBL3997707 0.73
SCHEMBL6935362 0.73 HTR2C (0.52) DRD2NOTUM

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
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 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 (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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 DRD2 4885/4885DRD3 4879/4885CYP2A6 3888/4885

“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.