SCHEMBL5163408

SCHEMBL5163408

N#CCOC(c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
FFAR1 O14842 1/20 0.42
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNK2 O95069 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.39
SLC7A5 Q01650 2/20 0.39

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
SCHEMBL9414519 0.85 MEN1 (0.51) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL4667595 0.82 FFAR1 (0.52) ACP3FFAR1IDO1TDO2MEN1
SCHEMBL4667558 0.76 FFAR1 (0.48) ACP3FFAR1IDO1TDO2MEN1
SCHEMBL5160316 0.76 SLC6A2 (0.52) ACP3FFAR1IDO1TDO2SLC6A2
SCHEMBL11054725 0.76 ACP3 (0.53) ACP3IDO1TDO2MEN1KMT2A
SCHEMBL11388119 0.73 ALDH1A1 (0.50) ACP3SLC6A2SLC6A4SLC6A3KCNK2
Formamide SCHEMBL5161701 0.72 SLC6A2 (0.48) ACP3FFAR1IDO1TDO2MEN1
SCHEMBL16768484 0.70 TSHR (0.40) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL11813722 0.70 SCN1A (0.46) IDO1TDO2MEN1KMT2ASLC6A2
Hydrochloric Acid SCHEMBL5269207 0.69 FFAR1 (0.44) FFAR1IDO1TDO2MEN1KMT2A

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 5 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
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B ACP3 1978/4885FFAR1 452/4885IDO1 273/4885

“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.