Sugi Predict

Sugi Predict / Compounds / SCHEMBL2879790

SCHEMBL2879790

SCHEMBL2879790

CCc1ccc2c(c1)[CH]CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 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
SCHEMBL9166102 0.89 TRPA1 (0.38) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL5713934 0.86 CNR1 (0.38) NPC1RAB9ADRD2HTR2CHTR2B
SCHEMBL5714220 0.83 SKP2 (0.40) NPC1RAB9ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL5713655 0.81 ESR1 (0.36) —
SCHEMBL5714067 0.81 HRH3 (0.42) ALDH1A1TSHRRXRARXRBRXRG
SCHEMBL5713702 0.81 GABRA1 (0.39) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL8714804 0.77 IDH1 (0.41) TSHRPDK2
SCHEMBL5714312 0.77 ADCY8 (0.32) NPC1RAB9ACDK5CDK5R1SMN1; SMN2
SCHEMBL30361595 0.76 NPC1 (0.53) NPC1RAB9AMAPTL3MBTL1MEN1
SCHEMBL442330 0.76 NPC1 (0.53) NPC1RAB9AMAPTL3MBTL1MEN1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US claimed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 — — US claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP claimed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP claimed
EP-1730125-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-13 — — EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US claimed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 — — US claimed
US-20050239836-A1 Substituted hydroxyethylamine 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
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO claimed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO claimed
US-7858642-B2 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. (US) 2010-12-28 — — US disclosed
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. 2009-10-29 — — US disclosed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 — — EP disclosed
EP-1735293-A2 SUBSTITUTED HYDROXYETHYLAMINE 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
WO-2005087752-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
WO-2005087751-A2 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 — — WO disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 — — EP 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885MAPT 249/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 NPC1 1393/4885RAB9A 3113/4885MAPT 235/4885
US-20090270367-A1 SUBSTITUTED HYDROXYETHYLAMINE ASPARTYL PROTEASE INHIBITORS DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885MAPT 249/4885
US-20050239836-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP NPC1 1518/4885RAB9A 2645/4885MAPT 249/4885

“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.