SCHEMBL1660000

SCHEMBL1660000

CCn1nc(Oc2ccc(C(F)(F)F)cc2)cc1-c1ccc2c(c1)CC(N)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.35
CTSD P07339 3/20 0.35
SMO Q99835 1/20 0.33
NR1H2 P55055 1/20 0.32
GRIA2 P42262 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
LTA4H P09960 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL14718021 0.82 GRIA2 (0.41) SCN9ANR1H2GRIA2
SCHEMBL14727891 0.82 GRIA2 (0.41) SCN9ANR1H2GRIA2
SCHEMBL14718124 0.81 GRIA2 (0.41) SCN9ANR1H2GRIA2
SCHEMBL14718212 0.81 GRIA2 (0.40) SCN9ANR1H2GRIA2
SCHEMBL14717802 0.80 GRIA2 (0.43) SCN9ANR1H2GRIA2
SCHEMBL1661510 0.77 DYRK1A (0.40) SCN9A
SCHEMBL1658657 0.76 SLC6A4 (0.40) SCN9A
SCHEMBL1659949 0.74 SCN9A (0.42) SCN9A
SCHEMBL1658711 0.74 SCN9A (0.34) SCN9A
SCHEMBL1660088 0.71 FAAH (0.37) SCN9A

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-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO 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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP SCN9A 1887/4885CTSD 290/4885SMO 187/4885

“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.