SCHEMBL17618433

SCHEMBL17618433

O=C(Nc1ccnnc1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ SLC6A7 Q99884 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
SCHEMBL17618437 0.91 CNR2 (0.39) GRM5CNR1RAB9ASMN1; SMN2CNR2
SCHEMBL17618428 0.90 TSHR (0.46) GRM5CNR1MALT1MAPTTP53
SCHEMBL17618429 0.86 LRRK2 (0.40) GRM5CNR1RAB9ASMN1; SMN2CNR2
SCHEMBL17618635 0.85 CNR1 (0.42) GRM5CNR1CNR2MAPTKMT2A
SCHEMBL17618432 0.85 CNR1 (0.36) GRM5CNR1RAB9ASMN1; SMN2CNR2
SCHEMBL17618507 0.85 CNR1 (0.36) GRM5CNR1RAB9ASMN1; SMN2CNR2
SCHEMBL17618630 0.85 TSHR (0.45) GRM5CNR1MAPTKMT2ALMNA
SCHEMBL19670176 0.85 CNR1 (0.36) GRM5CNR1RAB9ASMN1; SMN2CNR2
SCHEMBL16754574 0.85 WNT3A (0.41) GRM5LRRK2
SCHEMBL17618903 0.85 FAAH (0.42) CNR1RAB9ASMN1; SMN2CNR2SIRT2

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 GRM5 4062/4885CNR1 3355/4885RAB9A 1244/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR1 2946/4885RAB9A 1471/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR1 2946/4885RAB9A 1471/4885

“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