SCHEMBL14701465

SCHEMBL14701465

CC(C)(Cc1cccc(C(F)(F)F)c1)C1CNC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
DAO P14920 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACP3 P15309 1/20 0.41

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
SCHEMBL14701445 0.86 SLC6A4 (0.54) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL12415635 0.81 DAO (0.42) IDO1HTR2AHTR2CHTR2BTAAR1
SCHEMBL12415411 0.77 HTT (0.41) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL73993 0.76 HTR2A (0.58) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL25991086 0.75 IDO1 (0.37) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL18970405 0.73 HTR2A (0.51) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL1720582 0.73 HTR2A (0.59) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL19040917 0.73 HTR2A (0.54) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL1720376 0.73 HTR2A (0.54) IDO1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL14701462 0.72 TACR1 (0.49) ALDH1A1MEN1KMT2A

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 IDO1 211/4885HTR2A 282/4885HTR2C 248/4885

“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.