SCHEMBL17618578

SCHEMBL17618578

CC(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ FAAH O00519 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ VCP P55072 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPY2R P49146 1/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ PANK3 Q9H999 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAP3K12 Q12852 1/20 0.34

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
SCHEMBL20633341 0.90 CNR2 (0.33) TRPV1TRPM8CNR2GSK3BDYRK1A
SCHEMBL16775782 0.89 GRM5 (0.39) CNR2GSK3BDYRK1ASIRT2FAAH
SCHEMBL16238109 0.88 CNR2 (0.39) TRPV1CNR2GSK3BDYRK1ASIRT2
SCHEMBL19361197 0.88 FAAH (0.43) TRPV1FAAHVCPMEN1KMT2A
SCHEMBL17618388 0.87 VCP (0.43) TRPV1CNR2FAAHVCPJAK2
SCHEMBL16238427 0.87 CNR2 (0.51) CNR2FAAHVCPSMN1; SMN2ALDH1A1
SCHEMBL17618508 0.87 NEK2 (0.44) GSK3BDYRK1ASMN1; SMN2ALDH1A1MEN1
SCHEMBL17618445 0.86 VCP (0.44) CNR2FAAHVCPJAK2MEN1
SCHEMBL17618509 0.86 WNT3A (0.41) TRPV1GSK3BDYRK1AFAAHMEN1
SCHEMBL19365385 0.85 CNR2 (0.35) TRPV1CNR2GSK3BDYRK1ASIRT2

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 TRPV1 4249/4885TRPM8 2616/4885CNR2 3123/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TRPM8 2187/4885CNR2 2514/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV1 3670/4885TRPM8 2187/4885CNR2 2514/4885

“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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