SCHEMBL2895085

SCHEMBL2895085

O=c1[nH]c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)N4)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.56
SLC6A2 P23975 15/20 0.56
SLC6A3 Q01959 15/20 0.56
NOS1 P29475 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL2895090 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3NOS1GRIN2D
SCHEMBL2895084 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3NOS1GRIN2D
Ip-2018 SCHEMBL25368803 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL26041644 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL1103728 0.78 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL19139451 0.78 NOS1 (0.46) NOS1GRIN2DGRIN3BGRIN1GRIN2A
Ip-2018 SCHEMBL31440785 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL2191263 0.77 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL2896498 0.76 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL2896496 0.76 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286195-A1 NOVEL BENZOOXAZOL-AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-11 US claimed
EP-2201004-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-30 EP claimed
WO-2009034042-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-03-19 WO claimed
US-20100286195-A1 NOVEL BENZOOXAZOL-AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-11-11 US disclosed
EP-2201004-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2010-06-30 EP disclosed
WO-2009034042-A1 NOVEL BENZOOXAZOL- AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-03-19 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-20100286195-A1 NOVEL BENZOOXAZOL-AND BENZOOXATHIOL-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC18A2, MAOB, SLC6A2 SLC6A4 11/4885SLC6A2 3/4885SLC6A3 7/4885

“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.