SCHEMBL3396463

SCHEMBL3396463

O=c1oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)ccc2cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SLC6A4 P31645 7/20 0.56
SLC6A2 P23975 6/20 0.56
SLC6A3 Q01959 5/20 0.56
KDM4E B2RXH2 3/20 0.54
GLA P06280 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KLK7 P49862 1/20 0.49
MIF P14174 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOB P27338 3/20 0.48

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
SCHEMBL3396461 1.00 NPC1 (0.58) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3397861 0.89 SLC6A2 (0.56) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3397863 0.89 SLC6A2 (0.56) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3184049 0.86 SLC6A4 (0.53) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3184057 0.86 SLC6A4 (0.53) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3206669 0.86 SLC6A4 (0.56) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL3185506 0.84 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL3185502 0.84 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3MAOB
SCHEMBL3398079 0.83 GAPDH (0.52) NPC1RAB9ASLC6A4SLC6A2SLC6A3
SCHEMBL742602 0.81 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121678-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP claimed
US-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-12-17 US claimed
EP-2121678-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-2008074798-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2008-06-26 WO claimed
EP-2121678-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
US-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-12-17 US disclosed
EP-2121678-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-2008074798-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-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC18A2, SLC18A1 NPC1 249/4885RAB9A 1674/4885SLC6A4 5/4885

“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.