SCHEMBL1091653

SCHEMBL1091653

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3oc(=O)c(Br)cc3c1)C2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
GPR119 Q8TDV5 9/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAOB P27338 2/20 0.40
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KAT2B Q92831 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1091655 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL3183936 0.92 MAOB (0.44) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL3183943 0.92 MAOB (0.44) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL1091288 0.92 MAOB (0.44) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL1949223 0.89 MAOB (0.45) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL1949225 0.89 MAOB (0.45) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL1091721 0.85 CA12 (0.46) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL15304583 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL741084 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GPR119CHRM2
SCHEMBL741083 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3GPR119CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989202-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2012-07-25 EP disclosed
US-8153797-B2 Chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-04-10 US disclosed
EP-2311835-A1 Novel chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NeuroSearch AS (DK) 2011-04-20 EP disclosed
US-20100227883-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS ANIONA APS (DK) 2010-09-09 US 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-20100227883-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC18A2, SLC18A1 SLC6A2 1/4885SLC6A4 5/4885SLC6A3 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.