SCHEMBL16776307

SCHEMBL16776307

C[C@@H]1CNc2ccc(-c3cccc(C(C)(C)F)c3)nc2N(C(=O)Nc2ccccn2)[C@@H]1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SCN9A Q15858 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ AR P10275 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ SLC5A1 P13866 4/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33

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
SCHEMBL16785560 0.93 SLC5A1 (0.36) CNR2TRPV1SCN9ASLC5A1
SCHEMBL16776387 0.86 PTGS1 (0.35) CNR2TRPV1PTGS1PTGS2AR
SCHEMBL16776391 0.82 SLC5A1 (0.34) SLC5A1
SCHEMBL16785537 0.82 SCN9A (0.39) CNR2TRPV1SCN9AARSLC5A1
SCHEMBL16776478 0.82 SCN9A (0.39) CNR2TRPV1SCN9AARSLC5A1
SCHEMBL16776393 0.81 AR (0.34) ARFAAHDYRK1A
SCHEMBL16776376 0.78 POLB (0.41) CNR2KDM4ESIRT2MAPTRAB9A
SCHEMBL16776377 0.78 MPL (0.41) CNR2FAAHKMO
SCHEMBL16776395 0.78 TRPA1 (0.33) —
SCHEMBL19670600 0.77 KMO (0.38) CNR2TRPV1SCN9AMAPTSMN1; 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 CNR2 2514/4885TRPV1 3670/4885PTGS1 1022/4885

“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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