SCHEMBL16776269

SCHEMBL16776269

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccc(CNC(=O)CCC2(C)N=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ BACE1 P56817 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ CCR2 P41597 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ EPHB4 P54760 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MLNR O43193 2/20 0.32
▸ VCP P55072 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32

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
SCHEMBL16785643 0.93 CA2 (0.37) CA2CA9BACE1FAAHCCR2
SCHEMBL19670250 0.87 CA2 (0.37) CA2CA9BACE1FAAHCCR2
SCHEMBL19365538 0.84 KMT2A (0.38) CA2CA9BACE1FAAHCCR2
SCHEMBL16776479 0.83 SLC5A1 (0.41) CA2CA9FAAHEPHB4TRPV1
SCHEMBL16776472 0.82 CA2 (0.41) CA2CA9EPHB4TRPV1
SCHEMBL16776355 0.82 CA2 (0.41) CA2CA9TRPV1
SCHEMBL16250002 0.82 KMT2A (0.37) CA2CA9BACE1FAAHCCR2
SCHEMBL16776434 0.80 PTGER3 (0.39) CA2CA9FAAHEPHB4
SCHEMBL16785534 0.80 SLC5A1 (0.43) CA2CA9FAAHEPHB4
SCHEMBL16776293 0.78 CA2 (0.38) CA2CA9KDM4ESMN1; SMN2

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 CA2 4253/4885CA9 4248/4885BACE1 2359/4885

“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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