SCHEMBL24355248

SCHEMBL24355248

COc1noc2c1CCNC2

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.77
CHRM3 P20309 13/20 0.73
CHRM5 P08912 7/20 0.66
CHRM1 P11229 7/20 0.66
CHRM2 P08172 6/20 0.66
CHRM4 P08173 6/20 0.66
HTR2A P28223 1/20 0.53

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
Hydrochloric Acid SCHEMBL10651388 0.98 CHRM3 (0.76) HTR2CCHRM3CHRM5CHRM1CHRM2
SCHEMBL10651354 0.86 CHRM3 (0.97) HTR2CCHRM3CHRM5CHRM1CHRM2
Hydrochloric Acid SCHEMBL10436572 0.86 HTR2C (0.96) HTR2CCHRM3CHRM5CHRM1CHRM2
Hydrochloric Acid SCHEMBL10656906 0.84 CHRM3 (1.00) HTR2CCHRM3CHRM5CHRM1CHRM2
SCHEMBL10460428 0.79 CHRM3 (1.00) HTR2CCHRM3CHRM5CHRM1CHRM2
Hydrochloric Acid SCHEMBL10460426 0.78 CHRM3 (0.97) HTR2CCHRM3CHRM5CHRM1CHRM2
SCHEMBL12292410 0.76 CHRM3 (0.46) HTR2CCHRM3CHRM5CHRM1CHRM2
Gaboxadol SCHEMBL5533785 0.76 CHRM3 (0.46) HTR2CCHRM3CHRM5CHRM1CHRM2
Gaboxadol SCHEMBL247815 0.76 CHRM3 (0.46) HTR2CCHRM3CHRM5CHRM1CHRM2
Gaboxadol SCHEMBL1403323 0.74 CHRM3 (0.45) HTR2CCHRM3CHRM5CHRM1CHRM2

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-11597726-B2 Ring deuterated gaboxadol and its use for the treatment of psychiatric disorders Certego Therapeutics Inc. (US) 2023-03-07 US disclosed
US-20220127261-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS CERTEGO ABC, LLC 2022-04-28 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-20220127261-A1 RING DEUTERATED GABOXADOL AND ITS USE FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GABRD, GABRA6, GABRA3 HTR2C 52/4885CHRM3 1651/4885CHRM5 1501/4885
US-11597726-B2 Ring deuterated gaboxadol and its use for the treatment of psychiatric disorders GABRD, GABRA6, GABRA3 HTR2C 52/4885CHRM3 1651/4885CHRM5 1501/4885

“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.