SCHEMBL123309

SCHEMBL123309

CCOC(=O)CC1CNCCN1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TRPA1 O75762 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.34
PKM P14618 1/20 0.34
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.32
SRC P12931 4/20 0.32

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
SCHEMBL172322 1.00 MGAM (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL2915906 0.90 POLB (0.37) MGAMGAASIMGAM2CYP1A2
SCHEMBL2911153 0.85 POLB (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL27801248 0.83 ALDH1A1 (0.38) MGAMGAASIMGAM2CYP1A2
SCHEMBL23389921 0.82 TSHR (0.33) MGAMGAASIMGAM2
SCHEMBL122593 0.82 TSHR (0.33) MGAMGAASIMGAM2
SCHEMBL5479797 0.81 ALDH1A1 (0.34) ALDH1A1MAPTPKM
SCHEMBL28783772 0.81 CYP1A2 (0.42) MGAMGAASIMGAM2CYP1A2
SCHEMBL2910528 0.80 MGAM (0.41) MGAMGAASIMGAM2CYP1A2
SCHEMBL18655990 0.80 GAA (0.41) MGAMGAASIMGAM2CYP1A2

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 23 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
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
CN-103214473-A Dibenzo[b,f][1,4]oxazapine compounds ARYX THERAPEUTICS INC 2013-07-24 CN disclosed
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS ARYX THERAPEUTICS, INC. (US) 2012-07-12 US disclosed
EP-2137180-B1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS ARYX THERAPEUTICS INC (US) 2012-03-07 EP disclosed
US-8093237-B2 11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazapine compounds; psychological disorders, sleep disorders; antipsychotic agents that modulate monoaminergic neurotransmitter receptor subtypes; side effect reduction ARYX THERAPEUTICS, INC. (US) 2012-01-10 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
EP-2137180-A1 DIBENZO [B,F][1,4] OXAZAPINE COMPOUNDS Aryx Therapeutics, Inc. (US) 2009-12-30 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
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP disclosed
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 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 MGAM 4454/4885GAA 3552/4885SI 2326/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MGAM 4648/4885GAA 3879/4885SI 927/4885
US-20120178738-A1 DIBENZO [B,F] [1,4]OXAZAPINE COMPOUNDS DBH, DRD4, PSEN1 MGAM 4072/4885GAA 1058/4885SI 1847/4885
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH MGAM 1384/4885GAA 4731/4885SI 2273/4885

“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.