SCHEMBL21452545

SCHEMBL21452545

O=C1CCCCC1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 1/20 0.47
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.40
EPHX1 P07099 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GID4 Q8IVV7 1/20 0.39
NOTUM Q6P988 1/20 0.39
HCRTR1 O43613 5/20 0.39
HCRTR2 O43614 5/20 0.39
MGLL Q99685 1/20 0.38
FFAR1 O14842 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 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
SCHEMBL1138702 0.82 EPHX2 (0.42) EPHX1HCRTR1HCRTR2
SCHEMBL182434 0.81 DDB1 (0.58) DDB1CRBNGID4
SCHEMBL21452166 0.80 ADCYAP1R1 (0.42) ADCYAP1R1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL4128714 0.80 DDB1 (0.57) DDB1CRBNGID4
SCHEMBL21452529 0.80 HCRTR1 (0.38) NOTUMHCRTR1HCRTR2
SCHEMBL1138354 0.78 HTR2C (0.48)
SCHEMBL512831 0.78 L3MBTL1 (0.42) EPHX1HCRTR1HCRTR2
SCHEMBL11534052 0.78 SMN1; SMN2 (0.46) DDB1CRBNGID4
SCHEMBL25046792 0.77 HTR2C (0.45) TAS1R3TAS1R1TAS1R2EPHX1NOTUM
SCHEMBL21451921 0.77 HCRTR1 (0.39) EPHX1HCRTR1HCRTR2FFAR1

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 ADCYAP1R1 882/4885ABCC9 2580/4885ABCC8 2231/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT ADCYAP1R1 195/4885ABCC9 2097/4885ABCC8 938/4885

“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.