SCHEMBL3395446

SCHEMBL3395446

Cc1c(-c2ccccc2)c(=O)oc2cc(O[C@@H]3C[C@H]4CC[C@@H](C3)N4)ccc12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.56
SLC6A2 P23975 8/20 0.56
SLC6A3 Q01959 7/20 0.56
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
STAT1 P42224 1/20 0.54
KMT2A Q03164 1/20 0.54
ERAP1 Q9NZ08 1/20 0.52
MAOA P21397 5/20 0.51
MAOB P27338 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3395448 1.00 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL3393120 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL3393119 0.88 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL1090947 0.80 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL3394402 0.80 ALDH1A1 (0.55) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL3397646 0.80 ALDH1A1 (0.55) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL1092050 0.79 SLC6A2 (0.56) SLC6A4SLC6A2SLC6A3MAOAMAOB
SCHEMBL3396461 0.78 NPC1 (0.58) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL3396463 0.78 NPC1 (0.58) SLC6A4SLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL7122333 0.77 NPC1 (0.68) KDM4EALDH1A1NPC1RAB9ASTAT1

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.