SCHEMBL3399289

SCHEMBL3399289

COc1c(-c2ccccc2)c(=O)oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
CSF1R P07333 2/20 0.38
CYP19A1 P11511 2/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3399293 1.00 MAOA (0.41) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL4555749 0.90 MAOA (0.44) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL4555750 0.90 MAOA (0.44) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3400683 0.83 ALDH1A1 (0.51) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3400677 0.83 ALDH1A1 (0.51) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3393119 0.79 SLC6A4 (0.54) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL3393120 0.79 SLC6A4 (0.54) MAOAMAOBALDH1A1KDM4EKMT2A
SCHEMBL14687597 0.78 MAOB (0.43) MAOAMAOBALDH1A1KDM4ERAB9A
SCHEMBL741083 0.78 SLC6A2 (0.48) MAOAMAOBALDH1A1GPR119HSD17B10
SCHEMBL741084 0.78 SLC6A2 (0.48) MAOAMAOBALDH1A1GPR119HSD17B10

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 2 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 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 MAOA 7/4885MAOB 6/4885ALDH1A1 1001/4885

“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.