SCHEMBL15813633

SCHEMBL15813633

N#CCC(=O)c1cccc(Br)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
GRM5 P41594 1/20 0.41
USP9X Q93008 2/20 0.36
CTSA P10619 1/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNH2 Q12809 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
MCL1 Q07820 1/20 0.33
STAT3 P40763 1/20 0.33
GSK3B P49841 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL28790770 0.83 ALDH1A1 (0.43) ALDH1A1HPGDGRM5USP9XCTSA
SCHEMBL15988712 0.80 ALDH1A1 (0.51) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL6271757 0.79 P2RX7 (0.53) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL2160610 0.79 MAPT (0.39) ALDH1A1HPGDCTSAGAAKMT2A
SCHEMBL31749190 0.79 CTSA (0.41) ALDH1A1CTSAGAAKMT2AKDM4E
SCHEMBL31096237 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL3508834 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL3508261 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL29449409 0.78 ALDH1A1 (0.50) ALDH1A1HPGDGRM5CTSAGAA
SCHEMBL6564811 0.77 ALDH1A1 (0.49) ALDH1A1HPGDGRM5CTSAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114763352-A GLP-1 receptor agonist and application thereof in medicine 海思科医药集团股份有限公司 2022-07-19 CN disclosed
EP-2935284-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS AbbVie Inc. (US) 2015-10-28 EP disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-9150592-B2 Heterocyclic nuclear hormone receptor modulators ABBVIE INC. (US) 2015-10-06 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
US-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 US disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 WO disclosed
WO-2014094357-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS ABBVIE INC. (US) 2014-06-26 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-20140179676-A1 HETEROCYCLIC NUCLEAR HORMONE RECEPTOR MODULATORS NR5A2, NR5A1, GPER1 ALDH1A1 801/4885HPGD 161/4885GRM5 207/4885

“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.