SCHEMBL2054774

SCHEMBL2054774

COc1nc(C(F)(F)F)cc(C)c1C(=O)NC(CC1CC1)c1nnc(S(=O)(=O)CC2CC2)n1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.32
SLC6A9 P48067 1/20 0.32
CNR2 P34972 3/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL2054776 0.80 NPC1 (0.38) RORCCNR2
SCHEMBL2054779 0.73 KCNK3 (0.39) RORC
SCHEMBL8251813 0.73 NPC1 (0.38) RORCSLC6A9
SCHEMBL2054773 0.72 SLC6A9 (0.42) SLC6A9
SCHEMBL2054770 0.72 PDE2A (0.38) SLC6A9CNR2TRPV1
SCHEMBL2054772 0.72 NPC1 (0.37) RORCSLC6A9
SCHEMBL2054768 0.72 SLC6A9 (0.40) SLC6A9CNR2TRPV1
SCHEMBL3543136 0.70 CNR2 (0.32) RORCCNR2TRPV1
SCHEMBL5918431 0.70 SLC6A9 (0.35) SLC6A9CNR2TRPV1
SCHEMBL3540933 0.70 HDAC4 (0.41) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 RORC 3893/4885SLC6A9 112/4885CNR2 623/4885

“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.