SCHEMBL21452495

SCHEMBL21452495

NC1(c2cccc(F)c2F)CCCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.50
PDE7A Q13946 1/20 0.39
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
SLC6A4 P31645 2/20 0.36
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
OPRK1 P41145 1/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
KDM1A O60341 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL30207561 1.00 HDAC4 (0.50) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL27173461 0.87 HDAC4 (0.47) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL21451952 0.85 GRIN1 (0.47) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL27173484 0.85 GRIN1 (0.40) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL21452174 0.83 HDAC4 (0.39) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL21452481 0.82 HDAC4 (0.37) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL21452476 0.82 PDE7A (0.42) HDAC4PDE7AGRIN1GRIN2ASLC6A4
SCHEMBL21452200 0.81 HDAC4 (0.36) HDAC4
SCHEMBL21451925 0.79 MPL (0.37) HDAC4GRIN1GRIN2ASLC6A4GRIN2D
SCHEMBL21452196 0.79 MPL (0.37) HDAC4GRIN1GRIN2ASLC6A4GRIN2D

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 8 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
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JIANHE PHARMACEUTICAL & TECHNOLOGY CO. LTD. (CN) 2021-06-10 US disclosed
EP-3778579-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jianhe Pharmaceutical & Technology Co. Ltd. (CN) 2021-02-17 EP disclosed
WO-2019192602-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海键合医药科技有限公司 2019-10-10 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 (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 HDAC4 2123/4885PDE7A 3068/4885GRIN1 2/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT HDAC4 2874/4885PDE7A 1368/4885GRIN1 1281/4885

“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.