SCHEMBL2239136

SCHEMBL2239136

N[C@@H]1CN(C(=O)O)CC[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.47
KDM1A O60341 6/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAOB P27338 8/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2B6 P20813 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL2243037 1.00 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL2246148 1.00 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL2239884 1.00 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL2245845 0.87 EPHX2 (0.42) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL2816526 0.87 EPHX2 (0.42) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL19893576 0.87 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL5199579 0.87 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL19893577 0.87 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL1967275 0.87 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4
SCHEMBL5806555 0.87 MAOA (0.47) MAOAKDM1ASLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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 (1 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 MAOA 87/4885KDM1A 1455/4885SLC6A2 573/4885

“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.