SCHEMBL3434299

SCHEMBL3434299

Nc1ccccc1N1CCCOCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.67
ADRA2C P18825 1/20 0.53
LGMN Q99538 2/20 0.53
GAA P10253 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
NCF1 P14598 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL30443433 0.93 KEAP1 (0.64) KEAP1ADRA2CLGMNGAAMEN1
SCHEMBL127620 0.93 KEAP1 (0.64) KEAP1ADRA2CLGMNGAAMEN1
Hydrochloric Acid SCHEMBL23536416 0.91 KEAP1 (0.62) KEAP1ADRA2CLGMNGAAMEN1
Hydrochloric Acid SCHEMBL9424019 0.91 KEAP1 (0.62) KEAP1ADRA2CLGMNGAAMEN1
SCHEMBL23122504 0.86 KEAP1 (0.49) KEAP1ADRA2CLGMNGAAMEN1
Aniline SCHEMBL22169106 0.86 LGMN (0.57) KEAP1ADRA2CLGMNGAAMEN1
SCHEMBL484010 0.82 KEAP1 (0.95) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL29938274 0.82 KEAP1 (0.95) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL30664040 0.82 KEAP1 (0.87) KEAP1ADRA2CGAAMEN1KMT2A
SCHEMBL73609 0.81 KEAP1 (1.00) KEAP1ADRA2CGAAMEN1KMT2A

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
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 KEAP1 1775/4885ADRA2C 750/4885LGMN 3684/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KEAP1 1485/4885ADRA2C 161/4885LGMN 3912/4885

“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.