SCHEMBL21710870

SCHEMBL21710870

CNC(=O)[C@]1(C)CCCC[C@](O)(n2cnc3c(NC)nc(Cl)nc32)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 14/20 0.53
▸ ADORA1 P30542 9/20 0.53
▸ ADORA2A P29274 6/20 0.45
▸ HTR2B P41595 5/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.45
▸ HTR2C P28335 3/20 0.43
▸ YTHDC1 Q96MU7 3/20 0.42
▸ TMIGD3 P0DMS9 1/20 0.42
▸ HSP90B1 P14625 1/20 0.42

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
SCHEMBL24615045 0.79 ADORA3 (0.58) ADORA3ADORA2A
SCHEMBL21257353 0.74 ADORA3 (0.65) ADORA3ADORA1ADORA2AHTR2BTMEM97
SCHEMBL19503864 0.73 ADORA3 (0.69) ADORA3ADORA1ADORA2AHTR2BTMEM97
SCHEMBL24615057 0.73 ADORA3 (0.63) ADORA3ADORA2A
SCHEMBL24615136 0.73 ADORA3 (0.63) ADORA3ADORA1ADORA2AHTR2CTMIGD3
SCHEMBL19807380 0.71 ADORA3 (0.56) ADORA3ADORA1ADORA2AHTR2BHTR2C
SCHEMBL21710872 0.70 ADORA3 (0.61) ADORA3ADORA1ADORA2AHTR2BHTR2C
SCHEMBL25612586 0.69 ADORA3 (1.00) ADORA3ADORA1ADORA2AHTR2BTMEM97
SCHEMBL19807417 0.69 ADORA3 (0.84) ADORA3ADORA1ADORA2AHTR2BTMEM97
SCHEMBL22938079 0.68 ADORA3 (0.67) ADORA3ADORA1ADORA2AHTR2BTMEM97

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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2021-03-23 — — US disclosed
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. 2020-02-13 — — 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-10953031-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885
US-20200046751-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885ADORA2A 436/4885

“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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