SCHEMBL22933142

SCHEMBL22933142

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

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 6/20 0.79
▸ ADORA3 P0DMS8 12/20 0.71
▸ ADORA1 P30542 5/20 0.71
▸ ADORA2A P29274 1/20 0.68
▸ TMIGD3 P0DMS9 2/20 0.62
▸ HTR2C P28335 1/20 0.62
▸ HTR2B P41595 1/20 0.62
▸ HSP90AA1 P07900 1/20 0.60

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
SCHEMBL19464933 1.00 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19807386 1.00 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19799159 0.89 HSP90B1 (0.80) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19459913 0.89 HSP90B1 (0.80) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL25566633 0.88 HSP90B1 (0.79) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19464932 0.86 HSP90B1 (0.76) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19464935 0.86 HSP90B1 (0.76) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL26934885 0.86 HSP90B1 (0.76) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL19464995 0.85 HSP90B1 (1.00) HSP90B1ADORA3ADORA1ADORA2ATMIGD3
SCHEMBL22933144 0.85 HSP90B1 (1.00) HSP90B1ADORA3ADORA1ADORA2ATMIGD3

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 2 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-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS ASTROCYTE PHARMACEUTICALS, INC. 2021-02-04 — — 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-11839615-B2 Compounds and methods for treating addiction and related disorders ADORA2A, TAAR5, ADORA3 HSP90B1 3592/4885ADORA3 3/4885ADORA1 11/4885
US-20210030760-A1 COMPOUNDS AND METHODS FOR TREATING ADDICTION AND RELATED DISORDERS SLC6A3, PNMT, CES2 HSP90B1 3289/4885ADORA3 274/4885ADORA1 572/4885

“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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