SCHEMBL16775854

SCHEMBL16775854

C[C@@H]1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 7/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ FYN P06241 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ KDM1A O60341 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ BRAF P15056 1/20 0.34

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
SCHEMBL16776145 0.92 TRPV3 (0.35) SLC5A1
SCHEMBL19670602 0.91 SMN1; SMN2 (0.37) SLC5A1SMN1; SMN2FYNCA2CA9
SCHEMBL16785576 0.91 HTR2A (0.41) SMN1; SMN2FYNCA2CA9MEN1
SCHEMBL16776236 0.85 PRMT5 (0.38) —
SCHEMBL16775826 0.85 CA2 (0.40) SLC5A1FYNCA2CA9JAK2
SCHEMBL16776472 0.85 CA2 (0.41) SLC5A1FYNCA2CA9JAK2
SCHEMBL16785651 0.84 CA2 (0.39) SLC5A1FYNCA2CA9MEN1
SCHEMBL16776207 0.84 GSK3B (0.37) MAPT
SCHEMBL16776479 0.84 SLC5A1 (0.41) SLC5A1SMN1; SMN2FYNCA2CA9
SCHEMBL19365595 0.83 MAPT (0.38) SMN1; SMN2FYNCA2CA9JAK2

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 1202/4885SMN1; SMN2 2122/4885FYN 2694/4885

“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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