SCHEMBL1617366

SCHEMBL1617366

Cc1ccc(C)c(C2CCCCC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TLR4 O00206 1/20 0.38
SIRT1 Q96EB6 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.36
SRC P12931 2/20 0.36
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GRM7 Q14831 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL30496227 1.00 NPC1 (0.38) NPC1GAARAB9ATLR4SIRT1
SCHEMBL3662535 0.88 MAOA (0.33) NPC1GAARAB9ATLR4SIRT1
SCHEMBL4479104 0.84 NPC1 (0.42) NPC1GAARAB9ATLR4SIRT1
SCHEMBL5254475 0.81 UGT2B17 (0.38) NPC1RAB9ASIRT1ALDH1A1KDM4E
SCHEMBL24815345 0.79 DDB1 (0.53) TLR4CA1CA2CA4KMT2A
SCHEMBL15874850 0.79 DDB1 (0.53) TLR4CA1CA2CA4KMT2A
SCHEMBL29973239 0.79 DDB1 (0.53) TLR4CA1CA2CA4KMT2A
SCHEMBL4132442 0.79 DDB1 (0.53) TLR4CA1CA2CA4KMT2A
SCHEMBL1138156 0.75 NPC1 (0.45) NPC1GAARAB9ATLR4CA1
SCHEMBL28543985 0.75 IDO1 (0.59) SIRT1ALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254095-A1 NMDA Receptor Antagonist and Use Thereof SYNPHATEC (SHANGHAI) BIOPHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-08-01 US disclosed
EP-4339189-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF Synphatec (Shanghai) Biopharmaceutical Technology Co., Ltd. (CN) 2024-03-20 EP disclosed
CN-113234036-B NMDA receptor antagonists and uses thereof 斯莱普泰(上海)生物医药科技有限公司 2023-07-14 CN disclosed
WO-2022237849-A1 NMDA RECEPTOR ANTAGONIST AND USE THEREOF 中国科学院上海有机化学研究所 2022-11-17 WO disclosed
CN-113234036-A NMDA receptor antagonists and uses thereof 中国科学院上海有机化学研究所 2021-08-10 CN disclosed
WO-2012030952-A3 REDUCING RIPPLE CURRENT IN A SWITCHED-MODE POWER CONVERTER EMPLOYING A BRIDGE TOPOLOGY TEXAS INSTRUMENTS INCORPORATED (US) 2012-05-10 WO disclosed
EP-2231629-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2011-11-30 EP disclosed
US-7923450-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
US-20090181965-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-07-16 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-20240254095-A1 NMDA Receptor Antagonist and Use Thereof GRIN2B, GRIN1, GRIN3A NPC1 1168/4885GAA 4383/4885RAB9A 3377/4885
US-20090181965-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, BACE1 NPC1 1000/4885GAA 962/4885RAB9A 3024/4885

“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.