SCHEMBL19736421

SCHEMBL19736421

C[C@@H](O)CNC(=O)c1ccc2c(n1)N(C(=O)Nc1ccccn1)C1CCN2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.37
▸ NTRK1 P04629 6/20 0.37
▸ CXCR3 P49682 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMO Q99835 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 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
SCHEMBL19713807 1.00 SCD (0.37) SCDNTRK1CXCR3CNR2SMN1; SMN2
SCHEMBL19713916 1.00 SCD (0.37) SCDNTRK1CXCR3CNR2SMN1; SMN2
SCHEMBL19713803 1.00 SCD (0.37) SCDNTRK1CXCR3CNR2SMN1; SMN2
SCHEMBL19713795 0.94 GRM5 (0.36) SCDCNR2SMN1; SMN2KDM4ENPC1
SCHEMBL19713699 0.91 TRPV1 (0.38) SCDCNR2SMN1; SMN2KDM4ENPC1
SCHEMBL16754589 0.90 MEN1 (0.38) CNR2SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL19714461 0.90 NTRK1 (0.40) SCDNTRK1SMN1; SMN2NPC1TP53
SCHEMBL22239773 0.90 NTRK1 (0.40) SCDNTRK1SMN1; SMN2NPC1TP53
SCHEMBL19714227 0.90 NTRK1 (0.40) SCDNTRK1SMN1; SMN2NPC1TP53
SCHEMBL19714057 0.90 TRPV1 (0.38) SCDCNR2SMN1; SMN2KDM4ENPC1

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 SCD 1086/4885NTRK1 4760/4885CXCR3 4621/4885

“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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