SCHEMBL23934135

SCHEMBL23934135

CSCC(C)c1cc2ccncc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
MAPT P10636 1/20 0.38
SNCA P37840 1/20 0.38
HRH4 Q9H3N8 1/20 0.36
NR3C1 P04150 11/20 0.36
NR3C2 P08235 7/20 0.36
PGR P06401 6/20 0.36
MASP2 O00187 1/20 0.35
CYP3A4 P08684 1/20 0.34
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
DYRK1A Q13627 1/20 0.33
NOS2 P35228 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL23934146 0.88 DAO (0.42) DAOMAPTSNCAHRH4NR3C1
SCHEMBL29856283 0.80 DAO (0.49) DAOMAPTSNCAHRH4NR3C1
SCHEMBL3357467 0.80 DAO (0.49) DAOMAPTSNCAHRH4NR3C1
SCHEMBL4269626 0.78 DAO (0.50) DAOMAPTSNCAHRH4NR3C1
SCHEMBL13656963 0.78 DAO (0.46) DAOMAPTSNCAHRH4NR3C1
Hydrochloric Acid SCHEMBL4271746 0.76 DAO (0.45) DAOMAPTSNCAHRH4NR3C1
SCHEMBL4271962 0.75 DAO (0.47) DAOMAPTSNCAHRH4NR3C1
SCHEMBL4271774 0.75 DAO (0.44) DAOMAPTSNCAHRH4NR3C1
SCHEMBL23487158 0.72 DAO (0.44) DAOMAPTSNCAHRH4NR3C1
SCHEMBL21672768 0.72 NR3C1 (0.35) DAOMAPTSNCANR3C1NR3C2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 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 (1 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-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 DAO 1368/4885MAPT 470/4885SNCA 71/4885

“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.