SCHEMBL19799166

SCHEMBL19799166

CC1(C)OC2[C@H](O1)[C@H](n1cnc3c(Cl)nc(Cl)nc31)[C@H]1C[C@@]21CP=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.49
▸ HTR5A P47898 1/20 0.49
▸ HTR2B P41595 11/20 0.44
▸ HTR2C P28335 10/20 0.44
▸ ADORA3 P0DMS8 7/20 0.44
▸ TMIGD3 P0DMS9 7/20 0.43
▸ ADORA1 P30542 9/20 0.42
▸ ADORA2A P29274 7/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ P2RY1 P47900 3/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ P2RY2 P41231 1/20 0.39

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
SCHEMBL19459932 1.00 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL19799169 0.91 ADORA3 (0.54) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL19459536 0.91 ADORA3 (0.54) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL19415065 0.89 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL12269794 0.89 HTR2B (0.55) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL12269764 0.84 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL14263512 0.84 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL16440571 0.84 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL16440584 0.82 HRH2 (0.49) HRH2HTR5AHTR2BHTR2CADORA3
SCHEMBL13140717 0.81 HRH2 (0.44) HRH2HTR5AHTR2BHTR2CADORA3

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 3 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

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 HRH2 767/4885HTR5A 16/4885HTR2B 42/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 HRH2 1574/4885HTR5A 485/4885HTR2B 1044/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 HRH2 1574/4885HTR5A 485/4885HTR2B 1044/4885

“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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