SCHEMBL17618445

SCHEMBL17618445

O=C(Nc1ccccn1)N1c2nc(-c3cccc(N4CCCC4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.44
▸ HTR1A P08908 2/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DHFR P00374 1/20 0.37
▸ CARM1 Q86X55 1/20 0.37
▸ PRMT6 Q96LA8 1/20 0.37
▸ PRMT8 Q9NR22 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TP53BP1 Q12888 2/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ KARS1 Q15046 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ BTK Q06187 1/20 0.36

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
SCHEMBL17618555 0.92 VCP (0.43) VCPHTR1AHTR7MEN1KMT2A
SCHEMBL17618553 0.92 VCP (0.43) VCPHTR1AHTR7MEN1KMT2A
SCHEMBL17618741 0.91 SCN9A (0.42) VCPTP53BP1PRKCAPRKCQCAMK2D
SCHEMBL17618493 0.90 DHFR (0.39) VCPDHFRCARM1PRMT6PRMT8
SCHEMBL17618501 0.90 KARS1 (0.44) VCPGRM5MEN1KMT2ADHFR
SCHEMBL17618563 0.90 VCP (0.41) VCPHTR1AHTR7DHFRCNR2
SCHEMBL16238109 0.89 CNR2 (0.39) VCPMEN1KMT2ACNR2FAAH
SCHEMBL19361197 0.89 FAAH (0.43) VCPGRM5MEN1KMT2ANTRK1
SCHEMBL17618540 0.88 VCP (0.40) VCPHTR1AHTR7CNR2PRKCA
SCHEMBL17618388 0.88 VCP (0.43) VCPMEN1KMT2ACNR2NTRK1

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 VCP 1889/4885HTR1A 4635/4885HTR7 4178/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 VCP 1270/4885HTR1A 4632/4885HTR7 4361/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 VCP 1270/4885HTR1A 4632/4885HTR7 4361/4885

“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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