SCHEMBL16775885

SCHEMBL16775885

CC(=O)c1cc(F)c(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3NCC[C@H]2C)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.36
▸ SLC5A1 P13866 7/20 0.36
▸ FYN P06241 1/20 0.36
▸ KDM1A O60341 3/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ TRPV3 Q8NET8 1/20 0.34
▸ CPT2 P23786 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CPT1B Q92523 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
SCHEMBL16776355 0.89 CA2 (0.41) ADORA2ASLC5A1FYNKDM1AMAOA
SCHEMBL16776479 0.85 SLC5A1 (0.41) SLC5A1FYNJAK2KMOCA2
SCHEMBL16776472 0.85 CA2 (0.41) ADORA2ASLC5A1FYNKDM1AJAK2
SCHEMBL16776478 0.83 SCN9A (0.39) ADORA2ASLC5A1FYNKDM1AMAOA
SCHEMBL16785537 0.83 SCN9A (0.39) ADORA2ASLC5A1FYNKDM1AMAOA
SCHEMBL16775862 0.83 CNR2 (0.40) ADORA2AFYNKDM1AMAOAMAOB
SCHEMBL16785582 0.83 ADORA2A (0.37) ADORA2ASLC5A1FYNKDM1AMAOA
SCHEMBL16775882 0.82 SMN1; SMN2 (0.38) ADORA2AFYNKDM1AMAOAMAOB
SCHEMBL16776419 0.81 BRAF (0.40) FYNCA2CA9MEN1KMT2A
SCHEMBL16775891 0.81 BRAF (0.36) ADORA2ASLC5A1KDM1AJAK2KMO

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 ADORA2A 2325/4885SLC5A1 1202/4885FYN 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.

Send feedback