SCHEMBL19736459

SCHEMBL19736459

CC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1cnccn1)[C@H]1CCN2C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.36
▸ HIF1A Q16665 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PIM2 Q9P1W9 4/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ ACACB O00763 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ MYLK4 Q86YV6 1/20 0.33
▸ STK17A Q9UEE5 1/20 0.33

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
SCHEMBL19713781 0.91 CNR2 (0.38) CNR2FAAHNPC1RAB9A
SCHEMBL19713778 0.91 CNR2 (0.38) CNR2FAAHNPC1RAB9A
SCHEMBL19713954 0.89 GRM5 (0.38) CNR2NPC1RAB9AKDM4E
SCHEMBL22239612 0.88 KDM4E (0.37) FAAHKDM4E
SCHEMBL17770236 0.88 KDM4E (0.37) FAAHKDM4E
SCHEMBL17776937 0.88 RXFP1 (0.37) FAAHNPC1RAB9AKDM4E
SCHEMBL19714191 0.88 HSD11B1 (0.36) FAAHPIM2
SCHEMBL17770238 0.88 SMYD3 (0.37) FAAHRAB9A
SCHEMBL19736429 0.87 FGFR1 (0.39) ACACB
SCHEMBL17769875 0.87 FAAH (0.39) FAAHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 3062/4885HIF1A 321/4885FAAH 1283/4885

“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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