SCHEMBL3206669

SCHEMBL3206669

O=c1oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)ccc2cc1-c1cc2ccccc2o1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.56
SLC6A2 P23975 10/20 0.56
SLC6A3 Q01959 10/20 0.56
MAOB P27338 4/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAOA P21397 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 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
SCHEMBL3396463 0.86 NPC1 (0.58) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL3396461 0.86 NPC1 (0.58) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL3185506 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL3185502 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL3195074 0.82 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL1949189 0.82 SLC6A2 (0.49) SLC6A4SLC6A2SLC6A3MAOBRAB9A
Hydrochloric Acid SCHEMBL1950394 0.81 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL3397861 0.80 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL3397863 0.80 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3MAOBRAB9A
SCHEMBL3184057 0.79 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263617-B2 Chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-09-11 US claimed
EP-2121677-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP claimed
US-20100029711-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEURO SEARCH A/S (DK) 2010-02-04 US claimed
EP-2121677-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-11-25 EP claimed
WO-2008074797-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO claimed
US-8263617-B2 Chromen-2-one derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2012-09-11 US disclosed
EP-2121677-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
US-20100029711-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEURO SEARCH A/S (DK) 2010-02-04 US disclosed
EP-2121677-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-11-25 EP disclosed
WO-2008074797-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 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-20100029711-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, SLC18A1, SLC6A2 SLC6A4 8/4885SLC6A2 3/4885SLC6A3 9/4885

“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.