SCHEMBL4845197

SCHEMBL4845197

CC(C)c1ccc2c(c1)C(=O)NC(C)(C)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 1.00
HSD17B10 Q99714 2/20 1.00
GFER P55789 1/20 1.00
HTT P42858 2/20 0.55
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
NCOA1 Q15788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CDC7 O00311 2/20 0.39
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PIM1 P11309 1/20 0.36
OTUD7B Q6GQQ9 2/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35

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
SCHEMBL4843126 0.83 HPGD (0.70) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL28233796 0.77 HPGD (0.62) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL26225687 0.76 HPGD (0.60) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL7505165 0.75 HPGD (0.60) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL12219889 0.74 HPGD (0.59) HPGDHSD17B10GFER
SCHEMBL8163994 0.73 HPGD (0.58) HPGDHSD17B10GFERLMNAPIM1
SCHEMBL17695142 0.73 HPGD (0.57) HPGDHSD17B10GFERALDH1A1LMNA
SCHEMBL4842012 0.73 NPSR1 (0.62) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL29964356 0.73 NPSR1 (0.62) HPGDHSD17B10GFERHTTALDH1A1
SCHEMBL23329327 0.72 HPGD (0.56) HPGDHSD17B10GFERHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
EP-1306373-B1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2007-05-16 EP disclosed
US-6956033-B2 3,4-dihydroisoquinoline derivative compound and a pharmaceutical agent comprising it as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-18 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US disclosed
US-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-22 US disclosed
EP-1306373-A1 3,4-DIHYDROISOQUINOLINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-05-02 EP 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 (2 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-20040077643-A1 3,4 Dihydroisoquinoline derivative compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, TRPV1 HPGD 746/4885HSD17B10 3830/4885GFER 4760/4885
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 HPGD 1185/4885HSD17B10 2670/4885GFER 4017/4885

“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.