SCHEMBL17777112

SCHEMBL17777112

Cc1ccc(NC(=O)N2c3nc(C(=O)NCC4CC4)ccc3N3CC[C@H]2C3)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.41
▸ HCRTR1 O43613 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NAMPT P43490 4/20 0.36
▸ FGFR4 P22455 2/20 0.36
▸ NAPEPLD Q6IQ20 3/20 0.36
▸ KDM4A O75164 1/20 0.35
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ GLS O94925 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
SCHEMBL19713833 0.90 DEGS1 (0.40) HCRTR1NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL19713997 0.90 RPS6KB1 (0.38) NAMPTNAPEPLD
SCHEMBL17776959 0.87 ALOX15 (0.41) CNR1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL19714129 0.87 RAB9A (0.39) CNR1HCRTR1NPC1TP53MAPT
SCHEMBL17776972 0.87 RAB9A (0.39) CNR1HCRTR1NPC1TP53MAPT
SCHEMBL16754561 0.86 NAMPT (0.39) NPC1TP53NFKB1RAB9ANFKB2
SCHEMBL17776962 0.86 NAMPT (0.36) CNR1HCRTR1NAMPTNAPEPLD
SCHEMBL19713729 0.85 NAMPT (0.38) NAMPTNAPEPLD
SCHEMBL19714635 0.85 NAMPT (0.40) CNR1NAMPTNAPEPLD
SCHEMBL19736481 0.85 NAPEPLD (0.38) NPC1RAB9ASMN1; SMN2NAMPTFGFR4

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
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 CNR1 3100/4885HCRTR1 2441/4885NPC1 3047/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 3100/4885HCRTR1 2441/4885NPC1 3047/4885

“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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