SCHEMBL16776324

SCHEMBL16776324

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)NCCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.41
▸ EPHB4 P54760 2/20 0.40
▸ ELANE P08246 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ DGAT2 Q96PD7 1/20 0.37
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ CPT2 P23786 1/20 0.36
▸ CPT1A P50416 1/20 0.36
▸ CPT1B Q92523 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL16776472 0.87 CA2 (0.41) EPHB4CA2CA9TRPV1CPT2
SCHEMBL16775862 0.83 CNR2 (0.40) CPT2CPT1ACPT1BMEN1KMT2A
SCHEMBL16776479 0.83 SLC5A1 (0.41) EPHB4CA2CA9TRPV1CDK8
SCHEMBL16776434 0.82 PTGER3 (0.39) EPHB4CA2CA9MEN1KMT2A
SCHEMBL16785534 0.81 SLC5A1 (0.43) EPHB4CA2CA9
SCHEMBL16785537 0.81 SCN9A (0.39) CA2CA9TRPV1KMO
SCHEMBL16776478 0.81 SCN9A (0.39) CA2CA9TRPV1KMO
SCHEMBL16785527 0.80 MC4R (0.39) CHRM4MEN1KMT2A
SCHEMBL16775856 0.80 TRPV1 (0.39) TRPV1CASP6MEN1KMT2AKMO
SCHEMBL16776349 0.80 KMT2A (0.47) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CHRM4 4421/4885EPHB4 4864/4885ELANE 2859/4885

“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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