SCHEMBL16776423

SCHEMBL16776423

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ LMNA P02545 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ PRKD1 Q15139 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KARS1 Q15046 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL16776479 0.88 SLC5A1 (0.41) SMN1; SMN2RAF1BRAFLMNAHTT
SCHEMBL16776292 0.85 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAF1BRAFLMNA
SCHEMBL16776472 0.85 CA2 (0.41) RAF1BRAFCA2CA9TRPV1
SCHEMBL16776434 0.85 PTGER3 (0.39) RAF1BRAFCA2CA9FYN
SCHEMBL16785534 0.84 SLC5A1 (0.43) RAF1BRAFCA2CA9FYN
SCHEMBL16776419 0.84 BRAF (0.40) SMN1; SMN2NPC1RAF1BRAFLMNA
SCHEMBL16776355 0.83 CA2 (0.41) CA2CA9TRPV1FYN
SCHEMBL16776294 0.83 RHOA (0.48) NPC1RAF1BRAFLMNAHTT
SCHEMBL16776417 0.82 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAF1BRAFLMNA
SCHEMBL16775894 0.82 FYN (0.37) SMN1; SMN2NPC1RAF1BRAFMAPT

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 SMN1; SMN2 2122/4885NPC1 3380/4885RAF1 2875/4885

“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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