SCHEMBL8258775

SCHEMBL8258775

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
SCN3A Q9NY46 2/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35
TLR4 O00206 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RECQL P46063 1/20 0.34
CHRM1 P11229 1/20 0.33

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 0.92 KCNH2 (0.41) KCNH2SCN3AALDH1A1TDP1MAPT
SCHEMBL14740679 0.87 KCNH2 (0.48) KCNH2SCN3ATSHRALDH1A1TDP1
SCHEMBL28519301 0.84 KCNH2 (0.38) KCNH2SCN3ATSHRALDH1A1TDP1
SCHEMBL2347960 0.80 KCNH2 (0.38) KCNH2SCN3AALDH1A1TDP1MAPT
SCHEMBL24220439 0.80 KCNH2 (0.49) KCNH2SCN3AALDH1A1TDP1MAPT
SCHEMBL20835748 0.80 KCNH2 (0.49) KCNH2SCN3AALDH1A1TDP1MAPT
SCHEMBL8442870 0.79 KCNH2 (0.41) KCNH2SCN3ATSHRALDH1A1MEN1
SCHEMBL7849490 0.79 ALDH1A1 (0.37) TSHRALDH1A1TDP1MAPTMEN1
SCHEMBL3585032 0.78 KCNH2 (0.56) KCNH2SCN3AALDH1A1TDP1MEN1
SCHEMBL2350627 0.78 KCNH2 (0.56) KCNH2SCN3AALDH1A1TDP1MEN1

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
US-7256186-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-08-14 US disclosed
US-7208602-B2 Gamma secretase inhibitors SCHERING CORPORATION (US) 2007-04-24 US disclosed
US-20050085506-A1 Novel gamma secretase inhibitors SCHERING-PLOUGH CORPORATION AND PHARMACOPEIA, INC. 2005-04-21 US 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 190/4885TSHR 2937/4885
US-20050085506-A1 Novel gamma secretase inhibitors BACE1, BACE2, APP KCNH2 3247/4885SCN3A 127/4885TSHR 1837/4885

“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.