SCHEMBL16775838

SCHEMBL16775838

C[C@@H]1CCCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccn(C)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.39
▸ ADORA2A P29274 1/20 0.37
▸ SLC5A1 P13866 8/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ KDM1A O60341 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ KMO O15229 1/20 0.35

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
SCHEMBL16775831 0.86 KCNH2 (0.41) KCNH2ADORA2ASLC5A1JAK2KDM1A
SCHEMBL16785576 0.84 HTR2A (0.41) SMN1; SMN2FYN
SCHEMBL19365596 0.83 ADORA2A (0.39) KCNH2ADORA2ASLC5A1JAK2KDM1A
SCHEMBL16785582 0.83 ADORA2A (0.37) ADORA2ASLC5A1JAK2KDM1AFYN
SCHEMBL16785537 0.83 SCN9A (0.39) KCNH2ADORA2ASLC5A1JAK2KDM1A
SCHEMBL16776478 0.83 SCN9A (0.39) KCNH2ADORA2ASLC5A1JAK2KDM1A
SCHEMBL16775854 0.82 SLC5A1 (0.37) SLC5A1JAK2KDM1ASMN1; SMN2FYN
SCHEMBL16775990 0.82 ADORA2A (0.39) ADORA2A
SCHEMBL16776479 0.81 SLC5A1 (0.41) SLC5A1JAK2SMN1; SMN2NTRK1FYN
SCHEMBL16776472 0.81 CA2 (0.41) ADORA2ASLC5A1JAK2KDM1AFYN

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 KCNH2 4052/4885ADORA2A 2325/4885SLC5A1 1202/4885

“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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