SCHEMBL4550416

SCHEMBL4550416

CC(N)c1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.47
ADRB2 P07550 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGES2 Q9H7Z7 2/20 0.34
CETP P11597 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
Hydrochloric Acid SCHEMBL2713986 0.98 PDE2A (0.46) PDE2AADRB2TRPV1SLC6A2SLC6A4
SCHEMBL1727739 0.84 PDE2A (0.54) PDE2AADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL2021163 0.84 PDE2A (0.54) PDE2AADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL1729345 0.84 PDE2A (0.54) PDE2AADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL5018754 0.84 ALDH1A1 (0.53) PDE2ATRPV1ALDH1A1TSHRHSD17B10
SCHEMBL18266128 0.82 PDE2A (0.53) PDE2AADRB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL14120857 0.82 PDE2A (0.53) PDE2AADRB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2716505 0.82 PDE2A (0.53) PDE2AADRB2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL20302874 0.82 PDE2A (0.53) PDE2AADRB2SLC6A2SLC6A4SLC6A3
SCHEMBL1907911 0.81 ALDH1A1 (0.48) PDE2ATRPV1ALDH1A1TSHRHSD17B10

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
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A PDE2A 447/4885ADRB2 348/4885TRPV1 49/4885

“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.