SCHEMBL19459478

SCHEMBL19459478

CCOC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(N)nc(C)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 7/20 0.66
▸ HTR2B P41595 7/20 0.66
▸ HSP90B1 P14625 6/20 0.62
▸ HSP90AA1 P07900 1/20 0.62
▸ ADORA1 P30542 9/20 0.61
▸ ADORA3 P0DMS8 8/20 0.61
▸ TMIGD3 P0DMS9 4/20 0.61
▸ TSPO P30536 2/20 0.61
▸ ADORA2A P29274 1/20 0.61
▸ CHRM3 P20309 1/20 0.59
▸ TMEM97 Q5BJF2 1/20 0.59
▸ SLC6A3 Q01959 2/20 0.57
▸ SLC6A2 P23975 1/20 0.55

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
SCHEMBL21710880 0.89 ADORA3 (0.65) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL25566756 0.89 ADORA3 (0.65) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19799159 0.84 HSP90B1 (0.80) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19459913 0.84 HSP90B1 (0.80) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19464999 0.80 P2RY1 (0.57) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19459458 0.77 ADORA3 (0.77) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19459476 0.77 ADORA3 (0.77) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19799165 0.77 ADORA3 (0.77) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL19459456 0.77 ADORA3 (0.77) HTR2CHTR2BHSP90B1HSP90AA1ADORA1
SCHEMBL12269798 0.77 P2RY1 (0.58) HSP90B1HSP90AA1ADORA1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839615-B2 Compounds and methods for treating addiction and related disorders ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-12-12 — — US disclosed
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-06-01 — — US disclosed
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2018-01-25 — — US disclosed
US-9789131-B1 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2017-10-17 — — 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 (3 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 HTR2C 14/4885HTR2B 42/4885HSP90B1 3592/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 HTR2C 1443/4885HTR2B 1044/4885HSP90B1 1135/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 HTR2C 1443/4885HTR2B 1044/4885HSP90B1 1135/4885

“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.

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