SCHEMBL5279477

SCHEMBL5279477

CCc1c(C)nnn1CC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.37
SLC9A1 P19634 1/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
NPC1 O15118 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRM2 Q14416 1/20 0.32
MAOA P21397 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL20831303 0.82 SLC9A1 (0.34) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5276162 0.82 GABRB3 (0.40) GABRB3SLC9A1GRIA1GRIA2GRIA3
Hydrochloric Acid SCHEMBL20818442 0.80 SLC9A1 (0.33) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5279076 0.79 MAOB (0.33) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5282072 0.79 GRIA1 (0.39) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5275895 0.76 GABRB3 (0.37) GABRB3SLC9A1GRIA1GRIA2GRIA3
SCHEMBL5277723 0.76 SLC9A1 (0.46) SLC9A1ALDH1A1GRM2TOP2A
SCHEMBL765330 0.75
SCHEMBL5278971 0.74 SLC9A1 (0.35) SLC9A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL5276061 0.74 GRM2 (0.39) SLC9A1GRIA1GRIA2GRIA3GRIA4

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
WO-2014113485-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2014-07-24 WO disclosed
US-20140193337-A1 18F-SACCHARIDE-FOLATES Merck & Cie (CH) 2014-07-10 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP 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-20140193337-A1 18F-SACCHARIDE-FOLATES FOLR1, FOLR2, FOLH1 GABRB3 1669/4885SLC9A1 3439/4885GRIA1 275/4885

“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.