SCHEMBL17618545

SCHEMBL17618545

CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ FAAH O00519 2/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ PIM2 Q9P1W9 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ATR Q13535 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ HDAC8 Q9BY41 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
SCHEMBL17618629 1.00 CNR1 (0.36) CNR1SMN1; SMN2FAAHGSK3BDYRK1A
SCHEMBL16754469 0.95 SMN1; SMN2 (0.39) CNR1SMN1; SMN2FAAHGSK3BDYRK1A
SCHEMBL17618538 0.91 ABL1 (0.38) CNR1SMN1; SMN2FAAHGSK3BDYRK1A
SCHEMBL19365532 0.91 ABL1 (0.38) CNR1SMN1; SMN2FAAHGSK3BDYRK1A
SCHEMBL17618617 0.91 ABL1 (0.38) CNR1SMN1; SMN2FAAHGSK3BDYRK1A
SCHEMBL17618671 0.88 PIM3 (0.45) FAAHGSK3BDYRK1APIM3PIM2
SCHEMBL17618533 0.88 CNR1 (0.36) CNR1SMN1; SMN2GRM5
SCHEMBL17618620 0.88 CNR1 (0.36) CNR1SMN1; SMN2GRM5
SCHEMBL19365286 0.88 CNR1 (0.36) CNR1SMN1; SMN2GRM5
SCHEMBL17618361 0.86 ALOX15 (0.43) —

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 8 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

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 CNR1 3355/4885SMN1; SMN2 2211/4885FAAH 1092/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 2946/4885SMN1; SMN2 2122/4885FAAH 977/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR1 2946/4885SMN1; SMN2 2122/4885FAAH 977/4885

“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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