Sugi Predict

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SCHEMBL7849490

SCHEMBL7849490

CCOC(=O)[C@H]1CN(CC)C[C@@H](c2cc(F)cc(F)c2)N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ CHRM5 P08912 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28908009 0.81 KCNH2 (0.41) ALDH1A1TDP1MAPT
SCHEMBL8258775 0.79 KCNH2 (0.41) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL28519301 0.73 KCNH2 (0.38) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2577909 0.72 PDE4A (0.39) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2578479 0.69 ALDH1A1 (0.42) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL2347960 0.69 KCNH2 (0.38) ALDH1A1TDP1KDM4EMAPT
SCHEMBL24220439 0.69 KCNH2 (0.49) ALDH1A1TDP1MAPT
SCHEMBL20835748 0.69 KCNH2 (0.49) ALDH1A1TDP1MAPT
SCHEMBL7852370 0.69 ALDH1A1 (0.34) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL7851969 0.69 ALDH1A1 (0.34) ALDH1A1TDP1TSHRMEN1KMT2A

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-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 — — US disclosed
US-7998958-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2011-08-16 — — US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 — — US disclosed
US-7763613-B2 Substituted N-arylsulfonylheterocyclic amines as gamma-secretase inhibitors SCHERING CORPORATION (US) 2010-07-27 — — US disclosed
US-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-15 — — US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 — — US disclosed
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors SCHERING CORP. 2010-04-08 — — 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 (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-20100093695-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 3632/4885TDP1 2247/4885TSHR 644/4885
US-20100087425-A1 Substituted N-Arylsulfonylheterocyclic Amines As Gamma-Secretase Inhibitors BACE1, BACE2, APP ALDH1A1 3682/4885TDP1 2260/4885TSHR 620/4885

“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.