SCHEMBL804850

SCHEMBL804850

Cc1nc2cc(OC(F)(F)F)ccc2nc1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.40
PDE10A Q9Y233 3/20 0.40
PDE2A O00408 2/20 0.40
PDE7A Q13946 1/20 0.40
PDE11A Q9HCR9 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL10111820 1.00 SCN10A (0.40) SCN10APDE10APDE2APDE7APDE11A
SCHEMBL789183 0.85 SCN10A (0.39) SCN10APDE2ANPC1RAB9AGMNN
SCHEMBL789107 0.85 SCN10A (0.39) SCN10APDE2ANPC1RAB9AGMNN
SCHEMBL10111472 0.84 SMN1; SMN2 (0.44) SCN10APDE10APDE2APDE7APDE11A
SCHEMBL804844 0.84 SMN1; SMN2 (0.44) SCN10APDE10APDE2APDE7APDE11A
SCHEMBL20248300 0.83 DHFR (0.42) SCN10APDE10APDE2ANPC1RAB9A
SCHEMBL805001 0.82 KDM4E (0.53) PDE10ANPC1RAB9ALMNATP53
SCHEMBL805040 0.82 KDM4E (0.53) PDE10ANPC1RAB9ALMNATP53
SCHEMBL805106 0.80 KDM4E (0.46) SCN10APDE10APDE2APDE7ASCN4A
SCHEMBL804996 0.80 KDM4E (0.46) SCN10APDE10APDE2APDE7ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2019-08-29 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (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-20190263860-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD SCN10A 3186/4885PDE10A 1889/4885PDE2A 1265/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD SCN10A 3186/4885PDE10A 1889/4885PDE2A 1265/4885

“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.