SCHEMBL16775807

SCHEMBL16775807

C[C@@H]1CN2C[C@H]1N(C(=O)Nc1ccccn1)c1nc(-c3cccc(Cl)c3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ SLC6A7 Q99884 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GAK O14976 1/20 0.36
▸ GRM5 P41594 3/20 0.36
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ TRPV1 Q8NER1 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
SCHEMBL16249977 0.91 CNR2 (0.51) CNR2ALDH1A1FAAHFNTAFNTB
SCHEMBL16238294 0.85 CNR2 (0.44) CNR2ALDH1A1SLC6A7FNTAFNTB
SCHEMBL16238427 0.84 CNR2 (0.51) CNR2ALDH1A1SLC6A7FAAHFNTA
SCHEMBL17618737 0.83 CNR2 (0.52) CNR2ALDH1A1FNTAFNTBGRM5
SCHEMBL17618614 0.82 CNR2 (0.49) CNR2ALDH1A1SLC6A7FNTAFNTB
SCHEMBL17618826 0.81 POLB (0.41) CNR2ALDH1A1FAAHGRM5KMT2A
SCHEMBL17618832 0.81 MPL (0.41) CNR2ALDH1A1FAAHGRM5HCRTR1
SCHEMBL19699044 0.80 CNR2 (0.37) CNR2ALDH1A1FAAHPTGS1PTGS2
SCHEMBL19706042 0.80 CNR2 (0.51) CNR2ALDH1A1FNTAFNTBPTGS1
SCHEMBL17618829 0.80 FAAH (0.40) CNR2FAAHKMOCNR1SIRT2

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (4 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 CNR2 3123/4885ALDH1A1 1910/4885SLC6A7 4218/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885ALDH1A1 1726/4885SLC6A7 4447/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3123/4885ALDH1A1 1910/4885SLC6A7 4218/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885ALDH1A1 1726/4885SLC6A7 4447/4885

“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.

Send feedback