SCHEMBL17618832

SCHEMBL17618832

O=C(Nc1ccncn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ CNR2 P34972 2/20 0.39
▸ FAAH O00519 5/20 0.38
▸ GRM5 P41594 5/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TSHR P16473 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
SCHEMBL16249977 0.90 CNR2 (0.51) CNR2FAAHGRM5KMOALDH1A1
SCHEMBL17618826 0.88 POLB (0.41) CNR2FAAHGRM5KMOALDH1A1
SCHEMBL17618818 0.88 MPL (0.43) MPLFAAHKMOALDH1A1
SCHEMBL17618829 0.86 FAAH (0.40) CNR2FAAHKMOCNR1
SCHEMBL17618828 0.85 FAAH (0.41) CNR2FAAHGRM5USP30HCRTR1
SCHEMBL17618430 0.85 MPL (0.41) MPLCNR2FAAHGRM5USP30
SCHEMBL19703382 0.85 MPL (0.41) MPLCNR2FAAHGRM5USP30
SCHEMBL17618517 0.85 MPL (0.41) MPLCNR2FAAHGRM5USP30
SCHEMBL17618739 0.85 GRM5 (0.42) MPLCNR2FAAHGRM5USP30
SCHEMBL17618830 0.84 TSHR (0.46) CNR2TSHR

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 MPL 3356/4885CNR2 3123/4885FAAH 1092/4885

“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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