SCHEMBL741083

SCHEMBL741083

Cc1cc2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
MAOB P27338 7/20 0.45
MAOA P21397 3/20 0.45
GPR119 Q8TDV5 5/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD17B3 P37058 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL741084 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL15304583 1.00 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL3183936 0.89 MAOB (0.44) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL1091835 0.89 MAOB (0.44) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL1091768 0.89 MAOB (0.44) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL1091288 0.89 MAOB (0.44) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL3183943 0.89 MAOB (0.44) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL220637 0.89 MAOB (0.46) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL220638 0.89 MAOB (0.46) SLC6A2SLC6A4SLC6A3MAOBMAOA
SCHEMBL14687597 0.89 MAOB (0.43) MAOBMAOAGPR119CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697721-B2 Chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2014-04-15 US disclosed
EP-2430020-B1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2013-10-09 EP disclosed
US-20120088789-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2012-04-12 US disclosed
EP-2430020-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NeuroSearch A/S (DK) 2012-03-21 EP disclosed
WO-2010130620-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-18 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 (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-20120088789-A1 CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A1 SLC6A2 2/4885SLC6A4 7/4885SLC6A3 8/4885

“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.