SCHEMBL20061666

SCHEMBL20061666

CCC(Cc1ccc(OC(F)(F)F)c(F)c1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.42
EPHX2 P34913 4/20 0.41
CACNA1H O95180 1/20 0.38
HCRTR1 O43613 6/20 0.37
HCRTR2 O43614 6/20 0.37
ALOX15 P16050 1/20 0.35
SLC7A5 Q01650 1/20 0.35

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
SCHEMBL18181376 0.85 PDE2A (0.43) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL20061669 0.84 PDE2A (0.44) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL6611829 0.83 PDE2A (0.47) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL20132766 0.80 ALOX5AP (0.36) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL6468220 0.78 PDE2A (0.46) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL6600311 0.77 TP53 (0.45) PDE2AEPHX2CACNA1HHCRTR1HCRTR2
SCHEMBL18174275 0.76 EPHX2 (0.50) PDE2AEPHX2CACNA1H
SCHEMBL20128512 0.76 EPHX2 (0.50) PDE2AEPHX2CACNA1H
SCHEMBL18174185 0.76 EPHX2 (0.50) PDE2AEPHX2CACNA1H
SCHEMBL13557302 0.75 PDE2A (0.44) PDE2AEPHX2HCRTR1HCRTR2

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-10428065-B2 Isoxazolyl substituted imidazopyridines CELLCENTRIC LTD (GB) 2019-10-01 US disclosed
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES CELLCENTRIC LTD (GB) 2018-05-10 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 US disclosed
US-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES CELLCENTRIC LTD (GB) 2018-04-19 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 (3 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-20180105519-A1 ISOXAZOLYL SUBSTITUTED IMIDAZOPYRIDINES EP300, HDAC3, HDAC1 PDE2A 3909/4885EPHX2 3301/4885CACNA1H 976/4885
US-20180127402-A1 ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES EP300, HDAC3, HDAC1 PDE2A 4039/4885EPHX2 3907/4885CACNA1H 2018/4885
US-10428065-B2 Isoxazolyl substituted imidazopyridines EP300, HDAC3, HDAC1 PDE2A 3909/4885EPHX2 3301/4885CACNA1H 976/4885

“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.