SCHEMBL16776391

SCHEMBL16776391

C[C@@H]1CNc2ccc(-c3cccc(C(C)(F)F)c3)nc2N(C(=O)Nc2cccc(C3=CC=CC3)n2)[C@@H]1C

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 5/20 0.34
▸ GRIN1 Q05586 2/20 0.30
▸ GRIN2B Q13224 2/20 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
SCHEMBL16776307 0.82 CNR2 (0.36) SLC5A1
SCHEMBL16776395 0.79 TRPA1 (0.33) —
SCHEMBL16785560 0.79 SLC5A1 (0.36) SLC5A1
SCHEMBL16785563 0.77 TRPA1 (0.33) SLC5A1
SCHEMBL16776386 0.73 IMPDH2 (0.36) —
SCHEMBL16776387 0.72 PTGS1 (0.35) —
SCHEMBL16776377 0.72 MPL (0.41) —
SCHEMBL16776376 0.72 POLB (0.41) —
SCHEMBL16776393 0.72 AR (0.34) —
SCHEMBL16776394 0.72 FAAH (0.34) —

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SLC5A1 1202/4885GRIN1 4373/4885GRIN2B 4510/4885

“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.

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