SCHEMBL815018

SCHEMBL815018

CN[C@@H]1Cc2ccc(OC)cc2[C@@H](c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.68
SLC6A4 P31645 6/20 0.68
SLC6A3 Q01959 6/20 0.68
CYP2D6 P10635 5/20 0.68
CYP2C19 P33261 4/20 0.68
KCNH2 Q12809 3/20 0.68
CYP3A4 P08684 3/20 0.68
SIGMAR1 Q99720 1/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL815991 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL814745 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL814393 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL815987 1.00 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL814768 0.91 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL814847 0.91 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL815134 0.91 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL813746 0.91 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL814766 0.91 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19
SCHEMBL17584890 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1978961-B1 TETRALONE-BASED MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-03-16 EP disclosed
US-8053603-B2 Tetralone-based monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2011-11-08 US disclosed
US-8053603-B2 Tetralone-based monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2011-11-08 US disclosed
WO-2007081542-A9 TETRALONE-BASED MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC (US) 2008-10-09 WO disclosed
US-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-23 US disclosed
US-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-23 US disclosed
WO-2007081542-A2 TETRALONE-BASED MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 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-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A4 5/4885SLC6A3 3/4885

“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.