SCHEMBL23211472

SCHEMBL23211472

COCC(Cc1ccc(C)cc1)Nc1cccnc1NCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.41
HCRTR2 O43614 4/20 0.41
KDR P35968 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL21410772 1.00 BDKRB1 (0.41) BDKRB1HCRTR2KDRNPC1POLB
SCHEMBL23211395 0.91 HCRTR2 (0.41) BDKRB1HCRTR2KDRNPC1POLB
SCHEMBL21411198 0.91 HCRTR2 (0.41) BDKRB1HCRTR2KDRNPC1POLB
SCHEMBL21427619 0.84 HCRTR2 (0.45) HCRTR2ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL23211369 0.83 HTT (0.40) HCRTR2SMN1; SMN2L3MBTL1HTT
SCHEMBL23211371 0.83 HTT (0.40) HCRTR2SMN1; SMN2L3MBTL1HTT
SCHEMBL21410903 0.82 HCRTR2 (0.43) HCRTR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23211329 0.82 HCRTR2 (0.43) HCRTR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23211400 0.82 HCRTR2 (0.45) HCRTR2ALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL21410827 0.82 HCRTR2 (0.45) HCRTR2ALDH1A1HPGDSMN1; SMN2L3MBTL1

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 BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-11905297-B2 OX2R compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-20240174685-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-20210107914-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-20230122024-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-11472813-B2 OX2R compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885
US-20210163494-A1 OX2R Compounds HCRTR2, HCRTR1, OXTR BDKRB1 332/4885HCRTR2 1/4885KDR 2823/4885

“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.