SCHEMBL6328366

SCHEMBL6328366

CC(C)(Sc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(-c3ccc(Cl)cc3)s2)cc1)C(=O)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MITF O75030 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ UBE2N P61088 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ DGAT1 O75907 3/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MAPKAPK2 P49137 3/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 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
SCHEMBL6327445 0.93 MAPT (0.44) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6332860 0.92 MAPT (0.43) MAPTRAB9ANPC1ALDH1A1DGAT1
Trifluoroacetic Acid SCHEMBL6328364 0.90 DGAT1 (0.44) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6325803 0.87 ADORA2A (0.42) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6325796 0.85 MAPT (0.41) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL5727205 0.84 DGAT1 (0.46) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6334769 0.84 DGAT1 (0.45) MAPTRAB9ANPC1ALDH1A1DGAT1
Trifluoroacetic Acid SCHEMBL6327439 0.83 NPC1 (0.46) MAPTRAB9ANPC1ALDH1A1LMNA
SCHEMBL6326588 0.83 DGAT1 (0.49) MAPTRAB9ANPC1ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6332856 0.83 DGAT1 (0.43) MAPTRAB9ANPC1ALDH1A1DGAT1

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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC MAPT 3022/4885RAB9A 2132/4885NPC1 315/4885

“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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