SCHEMBL15933181

SCHEMBL15933181

Nc1cc(OCCF)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CHKA P35790 1/20 0.39
ALOX5AP P20292 7/20 0.35
FEN1 P39748 7/20 0.35
ELOVL1 Q9BW60 6/20 0.34
APP P05067 2/20 0.34
ASIC3 Q9UHC3 1/20 0.33
MAPT P10636 1/20 0.32
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31
TNNI3K Q59H18 1/20 0.31
KMO O15229 1/20 0.30

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
SCHEMBL7489421 0.84 THRB (0.38) CA2CHKAALOX5APFEN1ELOVL1
SCHEMBL16291043 0.80 MAPT (0.38) CA2CHKAALOX5APFEN1ELOVL1
SCHEMBL11373823 0.78 PIK3CD (0.37) CA2CHKAALOX5APFEN1ELOVL1
SCHEMBL20172295 0.77 TSHR (0.41)
SCHEMBL15933168 0.76 HDAC1 (0.36) ELOVL1
SCHEMBL16608094 0.76 RXRA (0.38) ELOVL1APPBRAFKDRMAPK14
SCHEMBL10187279 0.76 MCHR1 (0.41) CA2CHKAALOX5APFEN1ELOVL1
SCHEMBL2237291 0.76 HTR7 (0.46) ELOVL1MAPT
SCHEMBL10188104 0.75 ALDH1A1 (0.39) CA2CHKAALOX5APFEN1ASIC3
SCHEMBL28200612 0.75 CA2 (0.38) CA2CHKAALOX5APFEN1ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CA2 3052/4885CHKA 71/4885ALOX5AP 3927/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CA2 3052/4885CHKA 71/4885ALOX5AP 3927/4885

“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.