SCHEMBL6326588

SCHEMBL6326588

CC(C)(Sc1ccc(-c2nc(C(=O)Nc3ccc(N4CCOCC4)cc3)c(-c3ccccc3)s2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ ATR Q13535 2/20 0.46
▸ BTK Q06187 3/20 0.45
▸ MAPT P10636 6/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ IRAK4 Q9NWZ3 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 2/20 0.42

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
SCHEMBL5726776 0.93 DGAT1 (0.47) DGAT1NPC1RAB9AATRBTK
Trifluoroacetic Acid SCHEMBL6327439 0.92 NPC1 (0.46) DGAT1NPC1RAB9AATRBTK
SCHEMBL5727205 0.91 DGAT1 (0.46) DGAT1NPC1RAB9AATRBTK
Trifluoroacetic Acid SCHEMBL6328364 0.91 DGAT1 (0.44) DGAT1NPC1RAB9AATRBTK
Trifluoroacetic Acid SCHEMBL6332856 0.90 DGAT1 (0.43) DGAT1NPC1RAB9ABTKMAPT
Trifluoroacetic Acid SCHEMBL6334767 0.87 DGAT1 (0.47) DGAT1NPC1RAB9AATRBTK
SCHEMBL6326422 0.87 PPARG (0.46) NPC1RAB9AMAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6326606 0.85 DGAT1 (0.51) DGAT1NPC1RAB9AATRBTK
Trifluoroacetic Acid SCHEMBL6337264 0.85 DGAT1 (0.51) DGAT1NPC1RAB9AATRBTK
SCHEMBL6328143 0.84 PPARG (0.47) ATRMAPTCYP1A2CYP3A4CYP2D6

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 DGAT1 386/4885NPC1 315/4885RAB9A 2132/4885

“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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