SCHEMBL5713686

SCHEMBL5713686

c1cc([C]2CC2)cc(-c2ccsc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.54
CYP2B6 P20813 2/20 0.54
CYP2E1 P05181 1/20 0.54
PRMT6 Q96LA8 1/20 0.49
KCNH2 Q12809 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX5 P09917 1/20 0.42
PTPRC P08575 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
CNR1 P21554 1/20 0.41
DRD4 P21917 1/20 0.40
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
ACMSD Q8TDX5 1/20 0.39
ERN1 O75460 1/20 0.39
GLO1 Q04760 1/20 0.38
PRKDC P78527 1/20 0.38

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
SCHEMBL4350314 0.87 CYP2A6 (0.68) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL4263275 0.83 PRMT6 (0.40) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL28164029 0.81 CYP2A6 (0.82) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL3657116 0.80
SCHEMBL3997707 0.78
SCHEMBL5713690 0.76 DRD2 (0.58) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL2481528 0.73 KCNH2 (0.57) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL9194627 0.73 CYP2A6 (0.56) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL4442916 0.73 HSD17B1 (0.58) CYP2A6CYP2B6CYP2E1PRMT6KCNH2
SCHEMBL879221 0.73 CYP2A6 (0.56) CYP2A6CYP2B6CYP2E1PRMT6KCNH2

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 CYP2A6 3888/4885CYP2B6 4104/4885CYP2E1 4206/4885

“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.