SCHEMBL2456869

SCHEMBL2456869

CC(C)Cn1ccc(=O)n(C)c1=O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
HSD17B13 Q7Z5P4 10/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLA2G7 Q13093 1/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL14478207 0.85 HTR2C (0.41) ALDH1A1HSD17B13
SCHEMBL13947776 0.80 HSD17B13 (0.43) HSD17B13
SCHEMBL24664732 0.78 RGS4 (0.39) ALDH1A1HSD17B13TSHRHSD17B10L3MBTL1
SCHEMBL24665500 0.78 HSD17B13 (0.44) ALDH1A1HSD17B13
SCHEMBL5487196 0.76 HSD17B13 (0.47) HSD17B13
SCHEMBL5610519 0.76 HSD17B13 (0.43) HSD17B13
SCHEMBL5407475 0.75 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10L3MBTL1POLB
SCHEMBL7595779 0.73 HSD17B13 (0.41) ALDH1A1HSD17B13TSHRL3MBTL1POLB
SCHEMBL9120735 0.72 HSD17B13 (0.40) ALDH1A1HSD17B13
SCHEMBL9118024 0.70 CYP3A4 (0.51) ALDH1A1HSD17B13SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059665-A1 DIMERIC COMPOUNDS AS INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
WO-2022198196-A1 INHIBITORS OF GLYCOGEN SYNTHASE 1 (GYS1) AND METHODS OF USE THEREOF MAZE THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
US-9371327-B2 PDE1 inhibitor compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-06-21 US disclosed
EP-2367428-B1 ORGANIC COMPOUNDS INTRA CELLULAR THERAPIES INC (US) 2016-04-06 EP disclosed
US-20150353556-A1 ORGANIC COMPOUNDS LI PENG (US) 2015-12-10 US disclosed
US-8927556-B2 1H-pyrrolo[3,4-D]pyrimidin-2(6H)-one compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-01-06 US disclosed
US-20130324565-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2013-12-05 US disclosed
EP-2590657-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2013-05-15 EP disclosed
US-20120136013-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES. INC. 2012-05-31 US disclosed
WO-2011153135-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2011-12-08 WO disclosed
EP-2367428-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2011-09-28 EP disclosed
WO-2010065147-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-06-10 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 (4 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL ALDH1A1 2458/4885HSD17B13 124/4885TSHR 3766/4885
US-20150353556-A1 ORGANIC COMPOUNDS CYP2C9, TPMT, CYP2C19 ALDH1A1 214/4885HSD17B13 1413/4885TSHR 2115/4885
US-20120136013-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A4 ALDH1A1 216/4885HSD17B13 1296/4885TSHR 2078/4885
US-20130324565-A1 ORGANIC COMPOUNDS UGT2B7, CYP2C9, CYP4B1 ALDH1A1 326/4885HSD17B13 892/4885TSHR 1738/4885

“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.