SCHEMBL19699042

SCHEMBL19699042

O=C(Nc1ccncn1)N1c2nc(-c3cccc(F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ FYN P06241 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ MAP4K4 O95819 5/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL17618517 0.90 MPL (0.41) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL17618430 0.90 MPL (0.41) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL19703382 0.90 MPL (0.41) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL17618388 0.90 VCP (0.43) FAAHCHRM4TRPV1MAP4K4HPGDS
SCHEMBL17618350 0.90 MPL (0.43) FAAHFYNRPS6KB1SCN9AKMO
SCHEMBL17618498 0.90 MPL (0.43) FAAHFYNRPS6KB1SCN9AKMO
SCHEMBL17618493 0.89 DHFR (0.39) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618391 0.88 SCD (0.41) MAP4K4HPGDSPDE4APDE4BPDE4C
SCHEMBL17618484 0.88 GRM5 (0.41) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL17618471 0.87 MPL (0.45) FAAHPDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CHRM4 4421/4885FYN 2694/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885CHRM4 4421/4885FYN 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.

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