SCHEMBL16776348

SCHEMBL16776348

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1nncs1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.38
▸ FYN P06241 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ TRPA1 O75762 2/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ PGR P06401 1/20 0.34
▸ KDM1A O60341 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 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
SCHEMBL16775863 0.88 TRPA1 (0.41) FYNADORA2ATRPA1TRPV3TRPV4
SCHEMBL16785652 0.88 KMT2A (0.38) FYNADORA2ATRPA1JAK2KMO
SCHEMBL16776350 0.87 USP2 (0.40) FYNADORA2AKMO
SCHEMBL16776351 0.86 HPGD (0.37) FYNADORA2ATRPA1JAK2KMO
SCHEMBL16776349 0.85 KMT2A (0.47) ADORA2ATRPA1
SCHEMBL16776479 0.85 SLC5A1 (0.41) FYNJAK2KMO
SCHEMBL16776472 0.85 CA2 (0.41) FYNADORA2AJAK2KMOKDM1A
SCHEMBL16776352 0.84 KMT2A (0.42) —
SCHEMBL16775882 0.84 SMN1; SMN2 (0.38) FYNADORA2AKDM1AMAOAMAOB
SCHEMBL16785537 0.83 SCN9A (0.39) FYNADORA2ASCN9AJAK2KMO

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 NR3C1 4078/4885FYN 2694/4885ADORA2A 2325/4885

“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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