SCHEMBL3393119

SCHEMBL3393119

COc1c(-c2ccccc2)c(=O)oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.54
SLC6A2 P23975 11/20 0.54
SLC6A3 Q01959 9/20 0.54
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP19A1 P11511 1/20 0.41

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
SCHEMBL3393120 1.00 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3395448 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3395446 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL4555750 0.83 MAOA (0.44) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL4555749 0.83 MAOA (0.44) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL3399289 0.79 MAOA (0.41) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL3399293 0.79 MAOA (0.41) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL3394402 0.78 ALDH1A1 (0.55) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3397646 0.78 ALDH1A1 (0.55) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL3396461 0.76 NPC1 (0.58) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E

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-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-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

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 SLC6A4 5/4885SLC6A2 1/4885SLC6A3 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.