SCHEMBL122593

SCHEMBL122593

COC(=O)CC1CNCCN1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
BRD4 O60885 1/20 0.33
GAA P10253 2/20 0.33
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRR1 P24046 1/20 0.32
GABRA4 P48169 1/20 0.32
LTA4H P09960 1/20 0.32
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA7 P36544 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 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
SCHEMBL23389921 1.00 TSHR (0.33) TSHRBRD4GAASLC6A1GABRA5
SCHEMBL2918911 0.89 CXCR4 (0.35) TSHRBRD4GAASLC6A1GABRA5
Acrylamide SCHEMBL28873384 0.88 ALDH1A1 (0.31) TSHR
SCHEMBL15638009 0.84
SCHEMBL2910104 0.84 EPHX1 (0.34) TSHRBRD4GAASLC6A1GABRA5
SCHEMBL172322 0.82 MGAM (0.38) GAAMGAMSIMGAM2
SCHEMBL123309 0.82 MGAM (0.38) GAAMGAMSIMGAM2
SCHEMBL27801266 0.82 TSHR (0.40) TSHRLTA4HCHRNB2CHRNA4LMNA
SCHEMBL27779832 0.81 MIF (0.33) TSHRSLC6A1GABRA5GABRB2SLC6A12
SCHEMBL20296636 0.81 SLC6A1 (0.30) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115318113-B Nanofiltration membrane and preparation method and application thereof 清华大学 2023-10-31 CN claimed
CN-115318113-A Nanofiltration membrane and preparation method and application thereof 清华大学 2022-11-11 CN claimed
CN-101641350-A Dibenzo [ b ] ARYX THERAPEUTICS INC US 2010-02-03 CN claimed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP disclosed
CN-115318113-B Nanofiltration membrane and preparation method and application thereof 清华大学 2023-10-31 CN disclosed
CN-115318113-A Nanofiltration membrane and preparation method and application thereof 清华大学 2022-11-11 CN disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 US disclosed
WO-2018092034-A1 NOVEL IN-VIVO PROBE FOR REAL TIME LONGITUDINAL MONITORING OF INDUCIBLE NITRIC-OXIDE SYNTHASE IN LIVING CELLS AND ANIMALS PANDA KOUSTUBH (IN) 2018-05-24 WO disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 EP disclosed
CN-106536491-A Benzoxazinone amides as mineralocorticoid receptor modulators 阿斯利康(瑞典)有限公司 2017-03-22 CN disclosed
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US disclosed
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS PROTOCELL THERAPEUTICS INC. 2008-10-16 US disclosed
WO-2008112900-A1 DIBENZO[B,F][1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2008-09-18 WO disclosed
WO-2008112900-A1 DIBENZO[B,F][1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2008-09-18 WO 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-0196866-A2 Preparation process of alpha-L-aspartyl-L-phenylalanine methyl ester or hydrochloride thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-10-08 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 TSHR 4631/4885BRD4 848/4885GAA 3552/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 TSHR 4671/4885BRD4 500/4885GAA 3879/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 TSHR 4781/4885BRD4 739/4885GAA 713/4885
US-20080255088-A1 DIBENZO[b,f][1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 TSHR 2025/4885BRD4 208/4885GAA 1058/4885

“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.