SCHEMBL20649129

SCHEMBL20649129

CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 2/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 3/20 0.51
HSP90AA1 P07900 2/20 0.51
MEN1 O00255 2/20 0.51
FPR3 P25089 3/20 0.51
FPR2 P25090 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
TMEM97 Q5BJF2 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TP53BP1 Q12888 1/20 0.48
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL14158944 0.93 ALDH1A1 (0.57) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL3523655 0.90 TDP1 (0.60) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL17623630 0.87 L3MBTL1 (0.57) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL17623638 0.87 ESRRG (0.57) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL17623598 0.87 ALDH1A1 (0.51) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL24920365 0.87 ALDH1A1 (0.51) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL3758446 0.86 ESRRG (0.53) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL6378393 0.86 NPC1 (0.52) NPC1ALDH1A1RAB9AKMT2AMEN1
SCHEMBL1467340 0.85 NAAA (0.56) NPC1ALDH1A1RAB9AHPGDKMT2A
SCHEMBL1760150 0.84 HDAC1 (0.49) NPC1ALDH1A1RAB9AHPGDKMT2A

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-4434522-A2 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2024-09-25 EP disclosed
US-20240150290-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-05-09 US disclosed
EP-4277895-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-11-22 EP disclosed
CN-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 CN disclosed
WO-2022155037-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-07-21 WO disclosed
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 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-20240150290-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY11 NPC1 3576/4885ALDH1A1 2984/4885RAB9A 1333/4885

“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.