SCHEMBL5866872

SCHEMBL5866872

CC(C)C(Cc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
SLC6A2 P23975 2/20 0.50
TAAR1 Q96RJ0 2/20 0.50
MAOA P21397 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP2A6 P11509 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50

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
SCHEMBL13588551 1.00 EPHX1 (0.55) EPHX1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL23960529 1.00 EPHX1 (0.55) EPHX1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL27806639 0.88 EPHX1 (0.62) EPHX1SLC1A3SLC1A2SLC1A1ALPI
SCHEMBL5511480 0.84 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL883357 0.84 SLC1A3 (0.63) SLC1A3SLC1A2SLC1A1NPC1RAB9A
SCHEMBL12477240 0.84 ACE (0.59) EPHX1SLC1A3SLC1A2SLC1A1SLC6A2
SCHEMBL21261466 0.83 TAAR1 (0.55) EPHX1SLC6A2TAAR1SLC7A5ACE
SCHEMBL12184990 0.83 TAAR1 (0.55) EPHX1SLC6A2TAAR1SLC7A5ACE
SCHEMBL12118692 0.83 EPHX1 (0.51) EPHX1PTGS1KMT2A
SCHEMBL19647227 0.82 ALPI (0.52) SLC1A3SLC1A2SLC1A1SLC6A2TAAR1

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
WO-2021195183-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN EMBRYONIC ECTODERM DEVELOPMENT ACTIVITY AND TREATING DISEASE EXO THERAPEUTICS, INC. (US) 2021-09-30 WO disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
US-7154004-B2 Catalytic transamidation and amide metathesis under moderate conditions WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2006-12-26 US disclosed
US-20040230078-A1 Catalytic transamidation and amide metathesis under moderate conditions NATIONAL SCIENCE FOUNDATION 2004-11-18 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-20040230078-A1 Catalytic transamidation and amide metathesis under moderate conditions NAAA, NIT2, NAT10 EPHX1 2739/4885SLC1A3 1107/4885SLC1A2 1066/4885
US-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 EPHX1 1179/4885SLC1A3 1922/4885SLC1A2 1682/4885

“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.