SCHEMBL23211329

SCHEMBL23211329

COCC(Cc1ccc(C)cc1)Nc1cccnc1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 8/20 0.43
BACE1 P56817 3/20 0.39
CRHR1 P34998 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.34
SHMT2 P34897 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
SCHEMBL21410903 1.00 HCRTR2 (0.43) HCRTR2BACE1CRHR1NPC1RAB9A
SCHEMBL21411049 0.85 HCRTR2 (0.40) HCRTR2CRHR1NPC1RAB9AKMT2A
SCHEMBL23211566 0.85 HCRTR2 (0.40) HCRTR2CRHR1NPC1RAB9AKMT2A
SCHEMBL29909951 0.84 GAA (0.43) HCRTR2CRHR1KDM4EALDH1A1GAA
SCHEMBL21410772 0.82 BDKRB1 (0.41) HCRTR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL23211472 0.82 BDKRB1 (0.41) HCRTR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL23211254 0.80 KMT2A (0.41) HCRTR2NPC1RAB9AMEN1ALDH1A1
SCHEMBL21427619 0.80 HCRTR2 (0.45) HCRTR2CRHR1KDM4EALDH1A1GAA
SCHEMBL21410906 0.80 KMT2A (0.41) HCRTR2NPC1RAB9AMEN1ALDH1A1
SCHEMBL23211395 0.80 HCRTR2 (0.41) HCRTR2BACE1CRHR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174685-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-05-30 US disclosed
US-11905297-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-20 US disclosed
US-20230122024-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
US-11479560-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-10-25 US disclosed
US-11472813-B2 OX2R compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-18 US disclosed
US-20210163494-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 US disclosed
US-20210107914-A1 OX2R Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-15 US disclosed
CN-112165940-A OX2R compound 德克萨斯州立大学董事会 2021-01-01 CN 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 (7 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-11479560-B2 OX2R compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR HCRTR2 1/4885BACE1 2134/4885CRHR1 24/4885

“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.