SCHEMBL17618465

SCHEMBL17618465

COc1cc(NC(=O)N2c3nc(-c4cccc(OC[C@@H](O)CO)c4)ccc3N3CC[C@H]2C3)ncn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ ADRB3 P13945 7/20 0.37
▸ ADRB2 P07550 6/20 0.37
▸ ADRB1 P08588 6/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ NEK2 P51955 1/20 0.35
▸ USP30 Q70CQ3 2/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ PIK3CA P42336 3/20 0.35
▸ MTOR P42345 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ PRMT5 O14744 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
SCHEMBL17618593 0.90 FAAH (0.39) FAAHFGFR4NEK2USP30PIK3CA
SCHEMBL16238378 0.87 PRMT5 (0.41) ADRB3ADRB2ADRB1CARM1PRMT5
SCHEMBL16238383 0.87 PRMT5 (0.41) ADRB3ADRB2ADRB1CARM1PRMT5
SCHEMBL16238381 0.87 PRMT5 (0.41) ADRB3ADRB2ADRB1CARM1PRMT5
SCHEMBL19670588 0.86 FGFR4 (0.38) FAAHADRB3ADRB2ADRB1FGFR4
SCHEMBL19699059 0.86 FAAH (0.43) FAAHFGFR4NEK2USP30PIK3CA
SCHEMBL17618447 0.86 KIT (0.41) FAAHFGFR4NEK2USP30KIT
SCHEMBL17618425 0.85 FAAH (0.42) FAAHFGFR4NEK2USP30KIT
SCHEMBL19706670 0.85 RAF1 (0.34) FAAHMAPK1
SCHEMBL17768148 0.85 RAF1 (0.34) FAAHMAPK1

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 9 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
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 (3 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 1092/4885ADRB3 3886/4885ADRB2 4209/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885ADRB3 3607/4885ADRB2 4163/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885ADRB3 3607/4885ADRB2 4163/4885

“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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