SCHEMBL5515868

SCHEMBL5515868

COC(=O)[C@H]1CC[C@@H](c2cccc(F)c2)N1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.52
SCN3A Q9NY46 4/20 0.52
ALDH1A1 P00352 2/20 0.42
OPRK1 P41145 1/20 0.40
LMNA P02545 1/20 0.39
RIPK1 Q13546 1/20 0.39
CA1 P00915 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
SCHEMBL31479382 1.00 KCNH2 (0.52) KCNH2SCN3AALDH1A1OPRK1LMNA
SCHEMBL2051542 0.86 KCNH2 (0.44) KCNH2SCN3A
SCHEMBL20533458 0.86 KCNH2 (0.44) KCNH2SCN3A
SCHEMBL2051541 0.86 KCNH2 (0.44) KCNH2SCN3A
SCHEMBL24220439 0.86 KCNH2 (0.49) KCNH2SCN3AALDH1A1LMNA
SCHEMBL20835748 0.86 KCNH2 (0.49) KCNH2SCN3AALDH1A1LMNA
SCHEMBL8695116 0.85 KCNH2 (0.48) KCNH2SCN3AOPRK1
SCHEMBL8695113 0.85 KCNH2 (0.48) KCNH2SCN3AOPRK1
SCHEMBL2036845 0.84 SLC6A3 (0.51) KCNH2SCN3A
SCHEMBL2036846 0.84 SLC6A3 (0.51) KCNH2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
EP-1663975-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2006-06-07 EP disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US disclosed
WO-2005028440-A1 NOVEL GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2005-03-31 WO disclosed
US-20040171614-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION 2004-09-02 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-20040171614-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KCNH2 2312/4885SCN3A 190/4885ALDH1A1 4012/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KCNH2 3247/4885SCN3A 127/4885ALDH1A1 2742/4885

“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.