SCHEMBL17618533

SCHEMBL17618533

CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@@H]2CCCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DEGS1 O15121 1/20 0.35
▸ ITK Q08881 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ GRM5 P41594 3/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ KIT P10721 1/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ HSD17B14 Q9BPX1 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
SCHEMBL19365286 1.00 CNR1 (0.36) CNR1SMN1; SMN2DEGS1ITKSCD
SCHEMBL17618620 1.00 CNR1 (0.36) CNR1SMN1; SMN2DEGS1ITKSCD
SCHEMBL20633001 0.91 ITK (0.34) CNR1SMN1; SMN2DEGS1ITKSCD
SCHEMBL20631815 0.91 ITK (0.34) CNR1SMN1; SMN2DEGS1ITKSCD
SCHEMBL20632386 0.91 ITK (0.34) CNR1SMN1; SMN2DEGS1ITKSCD
SCHEMBL17618617 0.89 ABL1 (0.38) CNR1SMN1; SMN2GRM5ABL1
SCHEMBL19365532 0.89 ABL1 (0.38) CNR1SMN1; SMN2GRM5ABL1
SCHEMBL17618538 0.89 ABL1 (0.38) CNR1SMN1; SMN2GRM5ABL1
SCHEMBL17618446 0.88 GRM5 (0.42) CNR1DEGS1ITKGRM5HCRTR1
SCHEMBL17618629 0.88 CNR1 (0.36) CNR1SMN1; SMN2GRM5

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 CNR1 3355/4885SMN1; SMN2 2211/4885DEGS1 4466/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 2946/4885SMN1; SMN2 2122/4885DEGS1 4597/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR1 2946/4885SMN1; SMN2 2122/4885DEGS1 4597/4885

“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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