SCHEMBL16776347

SCHEMBL16776347

C[C@@H]1CNc2ccc(-c3cccc(C(C)(F)F)c3)nc2N(C(=O)Nc2cnccn2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ FAAH O00519 4/20 0.36
▸ SLC5A1 P13866 2/20 0.36
▸ KARS1 Q15046 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ DYRK3 O43781 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK2 P24941 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
SCHEMBL16776365 0.83 MPL (0.43) GRIN1GRIN2BFAAHSLC5A1BRAF
SCHEMBL16776360 0.83 HTR2C (0.46) TSHRFAAHCYP3A4CYP2D6MAPT
SCHEMBL16776392 0.82 SLC5A1 (0.34) GRIN1GRIN2BSLC5A1
SCHEMBL16776357 0.81 BRAF (0.40) GRIN1GRIN2BSLC5A1KARS1GSK3B
SCHEMBL16776366 0.80 PHGDH (0.40) SLC5A1
SCHEMBL16775818 0.79 ALOX15 (0.46) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16776372 0.79 CNR2 (0.51) SIRT2FAAHNPC1TP53RAB9A
SCHEMBL16775833 0.78 ALOX15 (0.46) ALOX15TSHRCASP1NPSR1HSD17B10
SCHEMBL16776359 0.78 NPC1 (0.38) SLC5A1NPC1TP53NFKB1RAB9A
SCHEMBL16776361 0.77 BRAF (0.44) SLC5A1GSK3BNPC1RAB9ABRAF

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-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 ALOX15 3469/4885TSHR 3064/4885CASP1 434/4885

“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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