SCHEMBL3060381

SCHEMBL3060381

Cc1nc(C(F)(F)F)ccc1C(=O)NC(C)C1(CC2CC2)CC(S(=O)(=O)CC2CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.38
SLC6A9 P48067 2/20 0.35
TRPV1 Q8NER1 3/20 0.33
PDE2A O00408 1/20 0.33
KCNK3 O14649 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
SCHEMBL5918378 0.92 SLC6A9 (0.40) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3541961 0.86 NPC1 (0.40) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3541958 0.86 NPC1 (0.40) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3543072 0.84 SLC6A9 (0.41) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3543076 0.84 SLC6A9 (0.41) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3542194 0.83 SLC6A9 (0.39) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3542190 0.83 SLC6A9 (0.39) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3538754 0.81 SLC6A9 (0.37) NPC1RAB9AGAALMNASLC6A9
SCHEMBL3538757 0.81 SLC6A9 (0.37) NPC1RAB9AGAALMNASLC6A9
SCHEMBL5918365 0.81 SLC6A9 (0.38) SLC6A9TRPV1

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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 NPC1 115/4885RAB9A 654/4885GAA 109/4885

“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.