SCHEMBL19807417

SCHEMBL19807417

CNC(=O)[C@@]12CC[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 16/20 0.84
▸ ADORA1 P30542 9/20 0.84
▸ HTR2B P41595 6/20 0.70
▸ ADORA2A P29274 4/20 0.70
▸ TMEM97 Q5BJF2 2/20 0.70
▸ HTR2C P28335 4/20 0.69
▸ TMIGD3 P0DMS9 3/20 0.69
▸ HSP90B1 P14625 1/20 0.67

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
SCHEMBL25612586 0.91 ADORA3 (1.00) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL19464901 0.84 ADORA3 (0.87) ADORA3ADORA1HTR2BADORA2ATMIGD3
SCHEMBL22933461 0.83 ADORA3 (0.87) ADORA3ADORA1HTR2BADORA2ATMIGD3
SCHEMBL3740327 0.82 ADORA3 (1.00) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL1223325 0.82 ADORA3 (1.00) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL19464931 0.80 HTR2B (0.81) ADORA3ADORA1HTR2BADORA2AHTR2C
SCHEMBL19799152 0.80 ADORA3 (0.80) ADORA3ADORA1TMIGD3
SCHEMBL13276340 0.80 ADORA3 (0.78) ADORA3ADORA1HTR2BADORA2ATMEM97
SCHEMBL3727163 0.79 ADORA3 (1.00) ADORA3ADORA1TMIGD3HSP90B1
SCHEMBL25566677 0.79 ADORA3 (1.00) ADORA3ADORA1TMIGD3

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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions ASTROCYTE PHARMACEUTICALS, INC. (US) 2019-04-23 — — 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 (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-10265338-B2 Compounds and methods for treating neurological and cardiovascular conditions TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HTR2B 1044/4885
US-20180021363-A1 COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS TNNI3, CPT1B, TNNT2 ADORA3 778/4885ADORA1 994/4885HTR2B 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.

Send feedback