SCHEMBL182434

SCHEMBL182434

COc1cccc(C2CCCCC2=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.58
CRBN Q96SW2 1/20 0.58
GID4 Q8IVV7 1/20 0.58
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 1/20 0.48
HTR2C P28335 2/20 0.48
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
PRKACA P17612 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4128714 0.98 DDB1 (0.57) DDB1CRBNGID4NPC1MEN1
SCHEMBL317559 0.95 GID4 (0.63) DDB1CRBNGID4NPC1MEN1
SCHEMBL21286784 0.89 DDB1 (0.67) DDB1CRBNGID4NPC1MEN1
SCHEMBL11534052 0.84 SMN1; SMN2 (0.46) DDB1CRBNGID4MEN1KMT2A
SCHEMBL318339 0.84 MAPK1 (0.45) DDB1CRBNGID4MEN1KMT2A
SCHEMBL10109186 0.84 MAPK1 (0.45) DDB1CRBNGID4MEN1KMT2A
SCHEMBL6404794 0.83 SMN1; SMN2 (0.47) DDB1CRBNGID4RAB9A
SCHEMBL21452545 0.81 ADCYAP1R1 (0.47) DDB1CRBNGID4
SCHEMBL318066 0.81 MAPK1 (0.56) DDB1CRBNNPC1MEN1KMT2A
SCHEMBL16937274 0.81 DDB1 (0.52) DDB1CRBNGID4NPC1MEN1

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 71 patents — showing the first 20. 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
WO-2023154450-A2 (AMPA-PAM)-NMDA RECEPTOR ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF MENTAL CONDITIONS AND DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2023-08-17 WO disclosed
CN-113527130-B Synthesis method of alpha-amide, alpha-aryl quaternary carboketone compound 兰州大学 2023-07-18 CN 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-113527130-A Synthetic method of alpha-amide and alpha-aryl quaternary carbon ketone compound 兰州大学 2021-10-22 CN 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
CN-111233599-B Aromatic ring ortho-iodoalkanone and synthetic method and application thereof 兰州大学 2021-07-20 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
US-5451600-A FOR TREATMENT OF INFLAMMATORY DISEASES AND TRAUMA INDUCED INFLAMMATION HOFFMANN-LA ROCHE INC. (US) 1995-09-19 US disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 WO disclosed
EP-0033156-B1 1-PHENYL-2-CYCLOHEXENE-1-ALKYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-10-17 EP disclosed
US-4448991-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1984-05-15 US disclosed
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed
US-4336268-A Cyclohexene derivative analgesics HOFFMANN-LA ROCHE INC. (US) 1982-06-22 US disclosed
US-4287212-A USEFUL AS ANALGESICS AND DIURETICS AMERICAN HOECHST CORPORATION (US) 1981-09-01 US disclosed
EP-0033156-A2 1-Phenyl-2-cyclohexene-1-alkylamine derivatives, process for their preparation and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-05 EP disclosed
US-4141893-A Decahydrocyclopent[c]azepines ELI LILLY AND COMPANY (US) 1979-02-27 US disclosed
US-4141894-A ANALGESICS, ANTAGONISTS ELI LILLY AND COMPANY (US) 1979-02-27 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 DDB1 3579/4885CRBN 4067/4885GID4 1968/4885
US-20210171487-A1 AROMATIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP4F11, PAH, COMT DDB1 4837/4885CRBN 1390/4885GID4 4158/4885

“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.