SCHEMBL16776319

SCHEMBL16776319

O=C(NCCN1CCOCC1)N1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ CD274 Q9NZQ7 1/20 0.43
▸ BRAF P15056 3/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ CTSK P43235 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ TRPV4 Q9HBA0 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL16776356 0.85 CYP1A2 (0.38) LMNA
SCHEMBL16776316 0.85 CA12 (0.42) LMNACNR2POLBKMT2A
SCHEMBL16776332 0.84 CNR2 (0.51) LMNABRAFCNR2TRPV4EPHX2
SCHEMBL16776305 0.83 ASAH1 (0.41) CNR2CTSKKCNH2EPHX2
SCHEMBL16776302 0.83 POLB (0.43) LMNACNR2POLBSMN1; SMN2TRPV4
SCHEMBL16776303 0.82 ASAH1 (0.44) CNR2EPHX2
SCHEMBL16776337 0.82 EPHB4 (0.39) CTSKKCNH2
SCHEMBL16776325 0.82 CHRM4 (0.40) LMNACTSKKCNH2KMT2A
SCHEMBL16776331 0.82 CYP1A2 (0.43) LMNA
SCHEMBL16776320 0.82 KMT2A (0.43) POLBKMT2A

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 LMNA 3617/4885CD274 4670/4885BRAF 3419/4885

“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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