SCHEMBL17618829

SCHEMBL17618829

O=C(Nc1cccnn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2C[C@@H](O)[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 12/20 0.40
▸ CNR2 P34972 4/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ CNR1 P21554 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ AHR P35869 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 0.89 CNR2 (0.51) FAAHCNR2SIRT2CNR1KMO
SCHEMBL17618782 0.88 FAAH (0.39) FAAHCNR2SIRT2CNR1KMO
SCHEMBL17618826 0.86 POLB (0.41) FAAHCNR2SIRT2KMO
SCHEMBL17618832 0.86 MPL (0.41) FAAHCNR2CNR1KMO
SCHEMBL17618830 0.85 TSHR (0.46) CNR2
SCHEMBL17618903 0.85 FAAH (0.42) FAAHCNR2SIRT2CNR1
SCHEMBL17618837 0.82 BRAF (0.36) CNR2CNR1
SCHEMBL17618827 0.81 P2RY1 (0.39) CNR2CNR1
SCHEMBL17618828 0.81 FAAH (0.41) FAAHCNR2CNR1
SCHEMBL17618844 0.81 GABRA1 (0.40) FAAHCNR2CNR1

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 3123/4885SIRT2 3/4885

“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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