SCHEMBL25611950

SCHEMBL25611950

Nc1nc(Cl)nc2c1ncn2[C@@H]1C2C[C@@]2(CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 1.00
▸ HSP90AA1 P07900 2/20 1.00
▸ HSP90B1 P14625 2/20 1.00
▸ ADORA1 P30542 6/20 0.84
▸ ADORA2A P29274 5/20 0.84
▸ TMEM97 Q5BJF2 1/20 0.84
▸ SIGMAR1 Q99720 1/20 0.84
▸ HTR2B P41595 8/20 0.74
▸ HTR2C P28335 7/20 0.74
▸ TMIGD3 P0DMS9 3/20 0.74
▸ P2RY1 P47900 3/20 0.72
▸ SLC6A3 Q01959 3/20 0.66
▸ P2RY2 P41231 1/20 0.66
▸ CHRM3 P20309 1/20 0.64
▸ TSPO P30536 1/20 0.64
▸ ADRB3 P13945 1/20 0.64

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
SCHEMBL21710876 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL25565537 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL26934253 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL26934923 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL2363334 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL25611872 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL12269990 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL19459524 1.00 ADORA3 (1.00) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL2405864 0.90 ADORA3 (0.82) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A
SCHEMBL12269987 0.90 ADORA3 (0.82) ADORA3HSP90AA1HSP90B1ADORA1ADORA2A

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
EP-3445368-B1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS INC (US) 2024-07-17 — — EP disclosed
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

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 ADORA3 3/4885HSP90AA1 3392/4885HSP90B1 3592/4885
US-20230165887-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885HSP90AA1 1092/4885HSP90B1 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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