SCHEMBL17618583

SCHEMBL17618583

CN(C)Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.41
▸ MAP4K4 O95819 1/20 0.36
▸ AOC3 Q16853 4/20 0.36
▸ AVPR1B P47901 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ VCP P55072 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
SCHEMBL16775782 0.87 GRM5 (0.39) EGFRCNR2GSK3BDYRK1ADRD2
SCHEMBL17618588 0.86 DRD2 (0.35) CNR2GSK3BDYRK1ADRD2DRD4
SCHEMBL16238109 0.86 CNR2 (0.39) CNR2GSK3BDYRK1AFAAHMEN1
SCHEMBL19361197 0.86 FAAH (0.43) DRD2DRD4DRD3FAAHMEN1
SCHEMBL19365412 0.86 EGFR (0.40) EGFRMAP4K4AVPR1BCNR2GSK3B
SCHEMBL19670469 0.86 EGFR (0.40) EGFRMAP4K4AVPR1BCNR2GSK3B
SCHEMBL17618388 0.85 VCP (0.43) EGFRMAP4K4CNR2FAAHMEN1
SCHEMBL16238427 0.85 CNR2 (0.51) CNR2FAAHKMT2AVCP
SCHEMBL17618508 0.85 NEK2 (0.44) GSK3BDYRK1AMEN1KMT2A
SCHEMBL17618578 0.85 TRPV1 (0.37) CNR2GSK3BDYRK1AFAAHMEN1

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 EGFR 3708/4885MAP4K4 1867/4885AOC3 3367/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 EGFR 3224/4885MAP4K4 2229/4885AOC3 3387/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 EGFR 3224/4885MAP4K4 2229/4885AOC3 3387/4885

“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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