SCHEMBL4052931

SCHEMBL4052931

CC1CC(=O)CC(C)N1C(=O)OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.72
CACNA1G O43497 1/20 0.54
CACNA1H O95180 1/20 0.54
CACNA1I Q9P0X4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
PSEN1 P49768 2/20 0.50
PSEN2 P49810 2/20 0.50
APH1B Q8WW43 2/20 0.50
NCSTN Q92542 2/20 0.50
APH1A Q96BI3 2/20 0.50
PSENEN Q9NZ42 2/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HCRTR2 O43614 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL31316158 1.00 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL3652770 0.88 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL16467962 0.88 HTR2C (0.76) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL31629096 0.88 HTR2C (0.64) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL2391021 0.87 HTR2C (0.63) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL25635525 0.87 HTR2C (0.63) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL4431805 0.85 HTR2C (0.72) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL8606286 0.84 HTR2C (0.70) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL4677056 0.84 HTR2C (1.00) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL154134 0.84 HTR2C (0.55) HTR2CCACNA1GCACNA1HCACNA1ISMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3340988-B1 ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES AFASCI INC (US) 2025-04-09 EP disclosed
US-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 US disclosed
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses AFASCI, INC. (US) 2018-11-01 US disclosed
WO-2009106534-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS M1 AGONISTS H. LUNDBECK A/S (DK) 2009-09-03 WO 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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H HTR2C 347/4885CACNA1G 2/4885CACNA1H 3/4885
US-20180312471-A1 Ion Channel Inhibitory Compounds, Pharmaceutical Formulations, and Uses CACNA1I, CACNA1G, CACNA1H HTR2C 347/4885CACNA1G 2/4885CACNA1H 3/4885

“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.