SCHEMBL16776479

SCHEMBL16776479

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 3/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMO O15229 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ NTRK1 P04629 1/20 0.38

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
SCHEMBL16776472 0.94 CA2 (0.41) SLC5A1CA2CA9KMOFYN
SCHEMBL16776475 0.92 SLC5A1 (0.40) SLC5A1SMN1; SMN2MAPTTRPV1
SCHEMBL16776355 0.92 CA2 (0.41) SLC5A1CA2CA9KMOFYN
SCHEMBL16776434 0.90 PTGER3 (0.39) SLC5A1CA2CA9FAAHFYN
SCHEMBL16785534 0.90 SLC5A1 (0.43) SLC5A1CA2CA9FAAHFYN
SCHEMBL16776478 0.89 SCN9A (0.39) SLC5A1CA2CA9KMOFYN
SCHEMBL16785537 0.89 SCN9A (0.39) SLC5A1CA2CA9KMOFYN
SCHEMBL16776419 0.89 BRAF (0.40) CA2CA9SMN1; SMN2FYNHTT
SCHEMBL16776294 0.88 RHOA (0.48) FYNHTTLMNAMAPTRAF1
SCHEMBL16776350 0.88 USP2 (0.40) SLC5A1SMN1; SMN2KMOFYNMAPT

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 2 patents. 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
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 1202/4885CA2 4253/4885CA9 4248/4885

“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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