SCHEMBL104460

SCHEMBL104460

CC(=O)c1cnc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
GPR183 P32249 1/20 0.40
NTRK1 P04629 1/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 1/20 0.39
PAX8 Q06710 1/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
VNN1 O95497 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3457728 0.86 KMT2A (0.41) KDM4EALDH1A1NPC1RAB9ATSHR
SCHEMBL31133355 0.84 MGAM (0.42) KDM4EALDH1A1GPR183NTRK1NPC1
SCHEMBL16044509 0.84 MGAM (0.42) KDM4EALDH1A1GPR183NTRK1NPC1
SCHEMBL25787974 0.83 TSHR (0.54) GPR183NTRK1NPC1RAB9ATSHR
SCHEMBL14645431 0.79 NPC1 (0.40) KDM4EGPR183NTRK1ATMNPC1
SCHEMBL31003073 0.78 NNMT (0.36) KDM4ENPC1RAB9AMAPT
SCHEMBL17996637 0.77 NTRK1 (0.41) KDM4EHSD17B10ALDH1A1GPR183NTRK1
SCHEMBL30133788 0.76 KDM4E (0.35) KDM4EHSD17B10ALDH1A1ALOX15GPR183
SCHEMBL19706484 0.76 NPSR1 (0.58) KDM4EHSD17B10ALDH1A1ALOX15NPC1
SCHEMBL14242971 0.74 GRM5 (0.48) KDM4E

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-20210122763-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-04-29 US disclosed
EP-3810593-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
EP-3810594-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243530-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2018-09-06 US disclosed
US-9889122-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2018-02-13 US disclosed
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2014-02-13 US disclosed
US-8598213-B2 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-12-03 US disclosed
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
WO-2013007621-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2013-01-17 WO disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2013-01-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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 (7 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-20180250277-A1 POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA2 KDM4E 2085/4885HSD17B10 3317/4885ALDH1A1 3647/4885
US-20210122763-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM4E 1495/4885HSD17B10 2463/4885ALDH1A1 3839/4885
US-20140044806-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR CHRNG, CHRNA7, CHRNA1 KDM4E 2132/4885HSD17B10 3735/4885ALDH1A1 4066/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM4E 1495/4885HSD17B10 2463/4885ALDH1A1 3839/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN KDM4E 1495/4885HSD17B10 2463/4885ALDH1A1 3839/4885
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KDM4E 3663/4885HSD17B10 281/4885ALDH1A1 4311/4885
US-20130012530-A1 New Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA1 KDM4E 2132/4885HSD17B10 3735/4885ALDH1A1 4066/4885

“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.