SCHEMBL5162687

SCHEMBL5162687

CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1cccc(F)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.77
SLC6A2 P23975 5/20 0.77
MEN1 O00255 4/20 0.77
KMT2A Q03164 4/20 0.77
LMNA P02545 4/20 0.77
SLC6A3 Q01959 4/20 0.77
NPC1 O15118 2/20 0.77
CYP2D6 P10635 2/20 0.77
CYP2C19 P33261 2/20 0.77
MTOR P42345 2/20 0.77
RAB9A P51151 2/20 0.77
CYP3A4 P08684 2/20 0.77
HTR2C P28335 2/20 0.77
KCNK2 O95069 2/20 0.77
KCNH2 Q12809 2/20 0.77
CACNA1C Q13936 2/20 0.77
HRH3 Q9Y5N1 2/20 0.77
KDM4E B2RXH2 1/20 0.77
TP53 P04637 1/20 0.77
CYP1A2 P05177 1/20 0.77

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
SCHEMBL5162694 1.00 SLC6A4 (0.77) SLC6A4SLC6A2MEN1KMT2ALMNA
SCHEMBL14607848 0.87 SLC6A4 (0.85) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL33947 0.87 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL8353 0.87 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL570572 0.87 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL8467346 0.87 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
R-Fluoxetine SCHEMBL1200433 0.87 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
SCHEMBL4740237 0.86 SLC6A4 (0.78) SLC6A4SLC6A2MEN1KMT2ALMNA
R-Fluoxetine SCHEMBL3905325 0.86 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA
Fluoxetine SCHEMBL3399076 0.86 SLC6A4 (1.00) SLC6A4SLC6A2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B SLC6A4 24/4885SLC6A2 89/4885MEN1 1694/4885

“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.