SCHEMBL29933799

SCHEMBL29933799

C[C@H]1CN(C)c2cccnc2O1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 6/20 0.38
AKR1B1 P15121 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
AR P10275 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RIPK1 Q13546 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
GRM2 Q14416 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL4959265 0.78 NISCH (0.35) NISCHCHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL14071760 0.74 LTA4H (0.45) MEN1KMT2A
SCHEMBL23424317 0.74 ADORA3 (0.36) NISCHAKR1B1CHRNB4CHRNA3CHRNB2
SCHEMBL19393131 0.73 NISCH (0.50) NISCHARMEN1KMT2AGAA
SCHEMBL17150852 0.73 NISCH (0.50) NISCHARMEN1KMT2AGAA
SCHEMBL25283393 0.72 AR (0.32) AR
SCHEMBL23416717 0.72 NISCH (0.35) NISCHAR
SCHEMBL23416703 0.72 NISCH (0.35) NISCHAR
SCHEMBL14463199 0.71 PTGIR (0.35)
SCHEMBL21054446 0.71 AKR1B1 (0.40) AKR1B1AR

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US disclosed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 NISCH 2181/4885AKR1B1 156/4885CHRNB4 34/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 NISCH 2273/4885AKR1B1 146/4885CHRNB4 36/4885

“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.