SCHEMBL4699438

SCHEMBL4699438

NC1(c2cccc(N3CCOCC3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.54
LMNA P02545 1/20 0.50
KMO O15229 1/20 0.49
LGMN Q99538 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
DHFR P00374 1/20 0.44
AKT1 P31749 10/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.41
AR P10275 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
SCHEMBL27329825 0.78 LMNA (0.71) AGXTLMNAKMOLGMNDHFR
SCHEMBL6992774 0.75 ADRA2C (0.61) AGXTLMNAKMOLGMNDHFR
SCHEMBL29371026 0.75 ADRA2C (0.61) AGXTLMNAKMOLGMNDHFR
SCHEMBL224567 0.75 ADRA2C (0.61) AGXTLMNAKMOLGMNDHFR
SCHEMBL18742498 0.75 SLC6A2 (0.48) LMNALGMNSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL14742169 0.74 ADRA2C (0.59) AGXTLMNAKMOLGMNDHFR
SCHEMBL5572603 0.73 SLC6A2 (0.47) LMNALGMNSLC6A2SLC6A4SLC6A3
SCHEMBL1171620 0.73 AGXT (0.43) AGXTLMNAKMOLGMNSLC6A2
Water SCHEMBL27688400 0.73 LMNA (0.57) AGXTLMNAKMOLGMNDHFR
SCHEMBL4834394 0.71 ADRB1 (0.65) AGXTLMNAKMOMEN1NPC1

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-1937638-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS Elan Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 WO disclosed
WO-2007047306-A1 METHODS OF TREATING AMYLOIDOSIS USING ARYL-CYCLOPROPYL DERIVATIVE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2007-04-26 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-20070149525-A1 Methods of treating amyloidosis using aryl-cyclopropyl derivative aspartyl protease inhibitors APP, DNPEP, ASPH AGXT 81/4885LMNA 623/4885KMO 3239/4885

“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.