SCHEMBL17618561

SCHEMBL17618561

O=C(Nc1ccccn1)N1c2nc(-c3cc(Cl)cc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.41
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CNR1 P21554 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ KCNMA1 Q12791 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ MALT1 Q9UDY8 1/20 0.35
▸ CHKA P35790 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ NPY2R P49146 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL16238427 0.93 CNR2 (0.51) CNR2GRM5ALDH1A1FAAHKCNMA1
SCHEMBL17618539 0.91 CNR2 (0.39) CNR2GRM5ALDH1A1CNR1TRPV1
SCHEMBL17618577 0.90 RAB9A (0.40) CNR2GRM5ALDH1A1CNR1TRPV1
SCHEMBL19361197 0.90 FAAH (0.43) GRM5TRPV1DRD4FAAHMEN1
SCHEMBL17618565 0.90 MALT1 (0.43) CNR2GRM5ALDH1A1CNR1TRPV1
SCHEMBL17618594 0.89 FAAH (0.43) TRPV1FAAHMEN1KMT2ARAB9A
SCHEMBL17618595 0.89 KMT2A (0.36) GRM5FAAHMEN1KMT2AMALT1
SCHEMBL17618614 0.88 CNR2 (0.49) CNR2GRM5ALDH1A1CNR1KMT2A
SCHEMBL17618737 0.88 CNR2 (0.52) CNR2GRM5ALDH1A1TRPV1KCNMA1
SCHEMBL16238109 0.87 CNR2 (0.39) CNR2ALDH1A1TRPV1FAAHMEN1

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

“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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