SCHEMBL4051279

SCHEMBL4051279

OCCNCc1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
CHRM2 P08172 1/20 0.71
ALDH1A1 P00352 4/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RECQL P46063 1/20 0.54
HTT P42858 1/20 0.54
SCN8A Q9UQD0 1/20 0.54
LTA4H P09960 1/20 0.53
CTSL P07711 1/20 0.53
FES P07332 1/20 0.53
RET P07949 1/20 0.53
MARK3 P27448 1/20 0.53
TYK2 P29597 1/20 0.53
FLT4 P35916 1/20 0.53
SYK P43405 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL29870183 1.00 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL6264264 0.98 CYP1A2 (0.71) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL9672546 0.91 CHRM2 (0.75) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL29875178 0.90 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL19031318 0.90 CYP1A2 (0.83) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL11594897 0.86 CHRM2 (0.93) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL2861457 0.86 CYP1A2 (1.00) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL29761159 0.85 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL16606308 0.85 CYP1A2 (0.74) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1
SCHEMBL10859128 0.84 CYP1A2 (0.53) CYP1A2CYP2D6CHRM2ALDH1A1NPSR1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PSOMAGEN, INC. (US) 2022-08-23 US claimed
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MACROGEN INC. (KR) 2021-05-06 US claimed
EP-3668494-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE Psomagen, Inc. (US) 2020-06-24 EP claimed
CN-111163761-A Targeted drugs related to trimethylamine and/or trimethylamine-N-oxide 普梭梅根公司 2020-05-15 CN claimed
WO-2019036507-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE uBiome, Inc. (US) 2019-02-21 WO claimed
US-20190050525-A1 RIESKE-TYPE OXYGENASE/REDUCTASE TARGETED DRUGS FOR DIAGNOSTIC AND TREATMENT OF DISEASES PSOMAGEN, INC. 2019-02-14 US claimed
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER GENENTECH, INC. (US) 2024-11-21 US disclosed
WO-2024153180-A1 HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2024-07-25 WO disclosed
EP-4320132-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-02-14 EP disclosed
CN-117083279-A Oxazepine compounds and their use in the treatment of cancer 基因泰克公司 2023-11-17 CN disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-11802135-B2 Lysophosphatidic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-10-31 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed
US-4588735-A Fungicidal (trihalophenoxy or trihalophenthio) alkylaminoalkyl pyridines and pyrroles CHEVRON RESEARCH COMPANY (US) 1986-05-13 US disclosed
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 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 (4 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-11802135-B2 Lysophosphatidic acid derivative LPAR4, LPAR2, LPAR1 CYP1A2 4026/4885CYP2D6 4572/4885CHRM2 2132/4885
US-11424006-B2 Targeted drugs associated with trimethylamine and/or trimeihylamine-n-oxide PNMT, MAOA, HNMT CYP1A2 116/4885CYP2D6 203/4885CHRM2 739/4885
US-20210128498-A1 TARGETED DRUGS ASSOCIATED WITH TRIMETHYLAMINE AND/OR TRIMETHYLAMINE-N-OXIDE MAOA, PNMT, HNMT CYP1A2 69/4885CYP2D6 92/4885CHRM2 826/4885
US-20240383915-A1 OXAZEPINE COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCER OXA1L, GRIK4, GRIK5 CYP1A2 1839/4885CYP2D6 1454/4885CHRM2 3172/4885

“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.