SCHEMBL3397646

SCHEMBL3397646

O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
HPGD P15428 5/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAOB P27338 3/20 0.54
CA9 Q16790 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
USP2 O75604 1/20 0.51
ESR1 P03372 1/20 0.49
CA12 O43570 1/20 0.49
ALDH2 P05091 1/20 0.49
AKR1B1 P15121 1/20 0.49
MAOA P21397 1/20 0.49
HSD17B3 P37058 1/20 0.49
SORD Q00796 1/20 0.49
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 5/20 0.49

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
SCHEMBL3394402 1.00 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EMAPTHTT
SCHEMBL3396461 0.80 NPC1 (0.58) ALDH1A1HPGDKDM4EKMT2AMAOB
SCHEMBL3396463 0.80 NPC1 (0.58) ALDH1A1HPGDKDM4EKMT2AMAOB
SCHEMBL3395448 0.80 SLC6A4 (0.56) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL3395446 0.80 SLC6A4 (0.56) ALDH1A1KDM4EMAPTHTTKMT2A
SCHEMBL3393119 0.78 SLC6A4 (0.54) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL3393120 0.78 SLC6A4 (0.54) ALDH1A1HPGDKDM4EMAPTKMT2A
Ip-2018 SCHEMBL25368803 0.76 SLC6A4 (0.59) ALDH1A1HPGDKDM4EKMT2ACA9
Ip-2018 SCHEMBL26041644 0.76 SLC6A4 (0.59) ALDH1A1HPGDKDM4EKMT2ACA9
Ip-2018 SCHEMBL1103728 0.76 SLC6A4 (0.59) ALDH1A1HPGDKDM4EKMT2ACA9

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 ALDH1A1 1001/4885HPGD 1545/4885KDM4E 1135/4885

“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.