SCHEMBL17618903

SCHEMBL17618903

O=C(Nc1cccnn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.42
▸ CNR2 P34972 3/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ STK4 Q13043 1/20 0.35
▸ STK3 Q13188 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 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
SCHEMBL17618390 0.90 FAAH (0.47) FAAHPDE4APDE4BPDE4CPDE4D
SCHEMBL16238427 0.89 CNR2 (0.51) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL17618349 0.88 FAAH (0.40) FAAHCNR2CNR1
SCHEMBL17618517 0.86 MPL (0.41) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL19703382 0.86 MPL (0.41) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL17618430 0.86 MPL (0.41) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL17618424 0.86 GRM5 (0.44) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL16754414 0.86 FAAH (0.43) FAAH
SCHEMBL17618437 0.85 CNR2 (0.39) FAAHCNR2RAB9ASMN1; SMN2PDE4A
SCHEMBL19699051 0.85 FAAH (0.39) FAAHSIRT2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1092/4885CNR2 3123/4885RAB9A 1244/4885

“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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