SCHEMBL2916301

SCHEMBL2916301

O=C(O)CC1CNCCS1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 5/20 0.47
SLC6A13 Q9NSD5 5/20 0.47
SLC6A1 P30531 4/20 0.47
SLC6A12 P48065 4/20 0.47
GABRA5 P31644 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRA4 P48169 1/20 0.47
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGAL P20701 1/20 0.31

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
SCHEMBL7736730 0.82 SLC6A1 (0.33) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL2921232 0.82 SLC6A1 (0.33) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL2918387 0.79 MAOA (0.33) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL6397489 0.79
SCHEMBL2913451 0.78 MAOA (0.34) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL28078730 0.78 TDP1 (0.44) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL2919512 0.78 SLC6A1 (0.31) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
Hydrochloric Acid SCHEMBL28686169 0.77 MAOA (0.33) SLC6A11SLC6A13SLC6A1SLC6A12GABRA5
SCHEMBL2920382 0.75 MAOA (0.36) TSHRLMNASMN1; SMN2
SCHEMBL29121095 0.75 TDP1 (0.49) TSHRLMNAITGB3ITGA2B

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576510-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2013-04-10 EP claimed
WO-2011153509-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-08 WO claimed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 US disclosed
US-11667675-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2023-06-06 US disclosed
CN-114907288-A Application of nitrobenzene compounds in preparation of pseudomonas aeruginosa quorum sensing inhibitor 中国医学科学院医药生物技术研究所 2022-08-16 CN disclosed
CN-114585637-A MASP inhibiting compounds and uses thereof 拜耳公司 2022-06-03 CN disclosed
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 US disclosed
WO-2020225095-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2020-11-12 WO disclosed
EP-2576510-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2013-04-10 EP disclosed
WO-2011153509-A1 PIPERIDINONE DERIVATIVES AS MDM2 INHIBITORS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2011-12-08 WO disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP disclosed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 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 (5 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SLC6A11 1835/4885SLC6A13 2091/4885SLC6A1 1251/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A11 1866/4885SLC6A13 2228/4885SLC6A1 1341/4885
US-11667675-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 SLC6A11 3639/4885SLC6A13 3390/4885SLC6A1 4016/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 SLC6A11 3639/4885SLC6A13 3390/4885SLC6A1 4016/4885
US-20210246166-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 SLC6A11 3639/4885SLC6A13 3390/4885SLC6A1 4016/4885

“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.