SCHEMBL23969637

SCHEMBL23969637

CC(C)CC(C)C(C)CN(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18638696 0.81
SCHEMBL21768332 0.78 PIK3CD (0.30) PIK3CD
SCHEMBL2935124 0.77 TSHR (0.47) TDP1ALDH1A1TSHRMAPK1CYP2D6
SCHEMBL19072799 0.73 SLC22A1 (0.37) HTR2AHRH1TDP1ALDH1A1TSHR
SCHEMBL22824372 0.73
SCHEMBL25721027 0.73 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL8754497 0.73 ALDH1A1 (0.33) PIK3CDALDH1A1TSHRMAPK1
SCHEMBL13412952 0.73 TSHR (0.33) HTR2AHRH1ALDH1A1TSHRMAPK1
SCHEMBL19243166 0.73 SLC22A1 (0.37) HTR2AHRH1TDP1ALDH1A1TSHR
SCHEMBL25038928 0.72

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-11160758-B2 Modified release formulations and uses thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-11-02 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-11160758-B2 Modified release formulations and uses thereof SRI, ABCG2, SUCNR1 HTR2A 357/4885HRH1 1162/4885TDP1 1956/4885

“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.