SCHEMBL2888569

SCHEMBL2888569

Cn1c(=O)oc2cc(O[C@H]3C[C@H]4CC[C@@H](C3)N4)ccc21

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.55
SLC6A2 P23975 12/20 0.55
SLC6A3 Q01959 12/20 0.55
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL2888566 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3TSHRALDH1A1
SCHEMBL2888572 1.00 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3TSHRALDH1A1
SCHEMBL24792934 0.81 LMNA (0.44) TSHRALDH1A1LMNAHPGDPKM
Hydrochloric Acid SCHEMBL23123081 0.80 LMNA (0.44) TSHRALDH1A1LMNAHPGDPKM
SCHEMBL2895090 0.74 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL25368803 0.74 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL2895085 0.74 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL1103728 0.74 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD
SCHEMBL2895084 0.74 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3
Ip-2018 SCHEMBL26041644 0.74 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3ALDH1A1HPGD

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
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

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.