SCHEMBL19713729

SCHEMBL19713729

O=C(NCC1CC1)c1ccc2c(n1)N(C(=O)Nc1ccncn1)[C@H]1CCN2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 5/20 0.38
▸ RPS6KB1 P23443 6/20 0.36
▸ NAPEPLD Q6IQ20 3/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ FAAH O00519 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
SCHEMBL16754561 0.89 NAMPT (0.39) NAMPTNAPEPLDIRAK4PIK3CDPIK3R1
SCHEMBL19714635 0.88 NAMPT (0.40) NAMPTRPS6KB1NAPEPLDIRAK4CYP3A4
SCHEMBL19713947 0.86 NAPEPLD (0.38) NAMPTNAPEPLDPIK3CDPIK3R1
SCHEMBL17777112 0.85 CNR1 (0.41) NAMPTNAPEPLD
SCHEMBL19713833 0.85 DEGS1 (0.40) NAMPTIRAK4
SCHEMBL19713997 0.85 RPS6KB1 (0.38) NAMPTRPS6KB1NAPEPLD
SCHEMBL17776959 0.85 ALOX15 (0.41) NAPEPLDIRAK4
SCHEMBL22239671 0.85 IRAK4 (0.37) NAMPTNAPEPLDIRAK4
SCHEMBL17770451 0.85 IRAK4 (0.37) NAMPTNAPEPLDIRAK4
SCHEMBL19714520 0.84 NAMPT (0.41) NAMPTNAPEPLDFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 NAMPT 118/4885RPS6KB1 973/4885NAPEPLD 2545/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 118/4885RPS6KB1 973/4885NAPEPLD 2545/4885

“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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