SCHEMBL17440163

SCHEMBL17440163

COC(=O)c1ccc(-c2coc(C)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ENPP3 O14638 5/20 0.58
ENPP1 P22413 3/20 0.56
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 3/20 0.46
NR2F2 P24468 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL6162997 0.84 MAPT (0.54) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL15507081 0.82 ENPP3 (0.61) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL16199782 0.80 CA1 (0.56) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL7221412 0.80 ENPP3 (0.62) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL21332285 0.80 HDAC4 (0.43) NPC1MEN1KMT2ATDP1MAPT
SCHEMBL1000268 0.79 RAB9A (0.51) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL7221944 0.79 ALDH1A1 (0.54) NPC1ENPP3ENPP1MAPTALDH1A1
SCHEMBL7220934 0.79 ENPP3 (0.64) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL16378629 0.79 ENPP3 (0.64) NPC1MEN1KMT2AENPP3ENPP1
SCHEMBL7222209 0.76 S1PR1 (0.49) NPC1ENPP3ENPP1MAPTALDH1A1

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
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 WO disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 US disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 US disclosed
US-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 US disclosed
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 WO 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 (1 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-20160016907-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 NPC1 1640/4885MEN1 2969/4885KMT2A 1613/4885

“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.