SCHEMBL16776392

SCHEMBL16776392

CC1=C(C)N=C(NC(=O)N2C[C@H](C)CNc3ccc(-c4cccc(C(C)(F)F)c4)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 3/20 0.34
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ KDM1A O60341 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
SCHEMBL16785660 0.90 SLC5A1 (0.33) SLC5A1GRIN1GRIN2B
SCHEMBL16776347 0.82 ALOX15 (0.38) SLC5A1GRIN1GRIN2B
SCHEMBL16776366 0.78 PHGDH (0.40) SLC5A1KDM1A
SCHEMBL16775999 0.78 ADORA2A (0.36) SLC5A1KDM1A
SCHEMBL16776360 0.77 HTR2C (0.46) —
SCHEMBL16776365 0.77 MPL (0.43) SLC5A1GRIN1GRIN2BKDM1A
SCHEMBL16776359 0.74 NPC1 (0.38) SLC5A1
SCHEMBL16776361 0.73 BRAF (0.44) SLC5A1
SCHEMBL16775914 0.72 CPT2 (0.38) GRIN1GRIN2BKDM1A
SCHEMBL16776372 0.72 CNR2 (0.51) —

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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