SCHEMBL17618614

SCHEMBL17618614

O=C(Nc1ccccn1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.43
▸ GRM5 P41594 10/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ BTK Q06187 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL16238427 0.95 CNR2 (0.51) CNR2ALDH1A1GRM5SLC6A3SLC6A7
SCHEMBL17618633 0.90 GRM5 (0.39) CNR2GRM5CNR1BTKMAPT
SCHEMBL19699057 0.90 BTK (0.39) CNR2GRM5BTKKMT2A
SCHEMBL17618737 0.90 CNR2 (0.52) CNR2ALDH1A1GRM5FNTAFNTB
SCHEMBL17618446 0.89 GRM5 (0.42) CNR2GRM5CNR1LMNATP53
SCHEMBL17618561 0.88 CNR2 (0.41) CNR2ALDH1A1GRM5CNR1FNTA
SCHEMBL17618514 0.88 USP30 (0.45) —
SCHEMBL19365532 0.88 ABL1 (0.38) CNR2GRM5CNR1BTKKMT2A
SCHEMBL17618904 0.88 KDM4E (0.42) ALDH1A1BTKLMNAKMT2A
SCHEMBL17769364 0.88 KDM4E (0.42) ALDH1A1BTKLMNAKMT2A

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 CNR2 3123/4885ALDH1A1 1910/4885GRM5 4062/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885ALDH1A1 1726/4885GRM5 3471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885ALDH1A1 1726/4885GRM5 3471/4885

“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