SCHEMBL513149

SCHEMBL513149

O=C1CCCCC1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TLR4 O00206 1/20 0.42
LIG1 P18858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
ATM Q13315 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL961415 0.98 LMNA (0.41) LMNATLR4LIG1ALDH1A1CYP19A1
SCHEMBL361341 0.94 LMNA (0.43) LMNALIG1ALDH1A1CYP19A1NPC1
SCHEMBL21595964 0.86 LMNA (0.41) LMNALIG1CYP19A1TDP1ATM
SCHEMBL21595941 0.86 LMNA (0.41) LMNALIG1CYP19A1TDP1ATM
SCHEMBL6434415 0.81 ESR2 (0.48) TLR4NPC1CA1CA2CA4
SCHEMBL1616775 0.81 KDM4E (0.42) TLR4LIG1ALDH1A1KMT2AMEN1
SCHEMBL8381617 0.81 DDB1 (0.50) TLR4CYP19A1KMT2ACA1CA2
SCHEMBL1138156 0.81 NPC1 (0.45) LMNATLR4ALDH1A1CYP19A1NPC1
SCHEMBL19993834 0.81 LMNA (0.42) LMNATLR4LIG1NPC1KMT2A
SCHEMBL1617559 0.81 TLR4 (0.42) TLR4CYP19A1KMT2AMEN1CA1

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-20240300886-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2024-09-12 US disclosed
US-20240254095-A1 NMDA Receptor Antagonist and Use Thereof SYNPHATEC (SHANGHAI) BIOPHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2024-08-01 US disclosed
CN-115190815-B Arylcyclohexylamine derivatives and their use in the treatment of psychotic disorders 吉尔伽美什制药公司 2024-06-18 CN disclosed
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2024-05-16 US disclosed
EP-4358946-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS Gilgamesh Pharmaceuticals, Inc. (US) 2024-05-01 EP 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-2022272174-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-12-29 WO disclosed
US-20220409555-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS INC (US) 2022-12-29 US disclosed
US-20220409555-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS GILGAMESH PHARMACEUTICALS INC (US) 2022-12-29 US disclosed
EP-1720873-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
EP-1678177-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-12 EP disclosed
WO-2005068463-A1 DIAZA-SPIROPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-07-28 WO disclosed
US-20050154001-A1 Diaza-spiropiperidine derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease F. HOFFMANN-LA ROCHE AG (CH) 2005-05-19 US disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
WO-2005040166-A1 TRIAZA-SPIROPIPERIDINE DERIVATIVES FOR USE AS GLYT-1 INHIBITORS IN THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
EP-0073849-A1 Novel phenyl-1,2,3,4-tetrahydrocarbazoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1983-03-16 EP disclosed
US-4292323-A Phenyl-1,2,3,4-tetrahydrocarbazoles and use thereof SCHERING CORPORATION (US) 1981-09-29 US disclosed
US-4150135-A ANALGESICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1979-04-17 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 (6 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-20240300886-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS HTR2C, PNMT, HTR2A LMNA 3505/4885TLR4 2435/4885LIG1 4472/4885
US-20240158340-A1 PHOTOCATALYTIC ARYLATION OF CARBONYL COMPOUNDS AND METHODS FOR USING THE SAME AHR, CBR3, AADAC LMNA 1467/4885TLR4 3743/4885LIG1 864/4885
US-20050107373-A1 E.g., 1-phenyl-8-(2-phenyl-cyclohexyl)-1,3,8-triaza-spiro[4.5]decan-4-one; activation of N-methylaspartic acid receptors via Glycine (Gly t-1) inhibition; psychoses; analgesics; neurodegenerative and psychological disorders; schizophrenia; cognition activators; antidepressants; Alzheimer's disease GRIN1, GRIN2A, GRM1 LMNA 4217/4885TLR4 150/4885LIG1 2334/4885
US-20240254095-A1 NMDA Receptor Antagonist and Use Thereof GRIN2B, GRIN1, GRIN3A LMNA 4328/4885TLR4 358/4885LIG1 2779/4885
US-20220409555-A1 ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS HTR2C, PNMT, HTR2A LMNA 3550/4885TLR4 2696/4885LIG1 4295/4885
US-20050154001-A1 Diaza-spiropiperidine derivatives HCN3, SCN3A, SLC6A3 LMNA 3896/4885TLR4 2953/4885LIG1 3727/4885

“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.