SCHEMBL458797

SCHEMBL458797

CC(C)CCNc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
AKR1C3 P42330 4/20 0.56
NR1H4 Q96RI1 4/20 0.54
CASR P41180 2/20 0.50
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 2/20 0.48
AKR1C2 P52895 3/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL21131169 0.91 ADRB2 (0.54) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL27536284 0.88 HPGD (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
Carbamic Acid SCHEMBL7402351 0.84 ITGB3 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL9057742 0.83 AKR1C3 (0.49) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL873032 0.82 AKR1C3 (0.61) NPC1RAB9ASMN1; SMN2AKR1C3NR1H4
SCHEMBL27635203 0.80 AKR1C3 (0.63) NPC1RAB9AAKR1C3CASRPPARA
SCHEMBL6325442 0.79 AKR1C3 (0.58) SMN1; SMN2AKR1C3NR1H4
SCHEMBL7609012 0.79 AKR1C3 (0.61) NPC1RAB9ASMN1; SMN2MAPTHSD17B10
SCHEMBL497784 0.78 AKR1C3 (0.65) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL26733447 0.78 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20040116654-A1 Heterogeneous foldamers containing alpha, beta, and/or gamma-amino acids NATIONAL SCIENCE FOUNDATION 2004-06-17 US 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 (2 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 NPC1 4635/4885RAB9A 3067/4885SMN1; SMN2 4002/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ NPC1 4725/4885RAB9A 3084/4885SMN1; SMN2 4171/4885

“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.