SCHEMBL14701461

SCHEMBL14701461

CC(Cc1cccc(C(F)(F)F)c1)C1CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.48
HTR2A P28223 3/20 0.46
HTR2B P41595 3/20 0.46
HTR2C P28335 2/20 0.46
GPR119 Q8TDV5 4/20 0.46
SCN9A Q15858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43
ADRA2C P18825 2/20 0.42
SLC6A4 P31645 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 2/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
NR1I2 O75469 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL14701443 0.89 GPR119 (0.58) TACR1GPR119SMYD3MAPTDPP4
SCHEMBL24168673 0.80 MGLL (0.50) TACR1MEN1KMT2ASLC6A4DRD3
SCHEMBL14701462 0.80 TACR1 (0.49) TACR1MEN1KMT2ARORCEPHX1
SCHEMBL30334881 0.80 MGLL (0.50) TACR1MEN1KMT2ASLC6A4DRD3
SCHEMBL30334922 0.79 TEAD1 (0.60) TACR1SCN9AMEN1KMT2A
SCHEMBL26215470 0.79 TEAD1 (0.60) TACR1SCN9AMEN1KMT2A
SCHEMBL3038735 0.78 RORC (0.42) TACR1GPR119GHSRRORCMAPT
SCHEMBL3031564 0.77 CACNA1B (0.52) RORC
SCHEMBL21896201 0.77 MGLL (0.61) TACR1MEN1KMT2ASLC6A4DRD3
SCHEMBL31168855 0.77 MGLL (0.61) TACR1MEN1KMT2ASLC6A4DRD3

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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D TACR1 889/4885HTR2A 282/4885HTR2B 142/4885

“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.