SCHEMBL1337396

SCHEMBL1337396

O=S(=O)(O)c1ccc(Br)cc1[C@@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.42
DPP4 P27487 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GRM4 Q14833 1/20 0.36
ACACB O00763 9/20 0.35
CXCR3 P49682 1/20 0.35
FFAR1 O14842 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33

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
SCHEMBL1337402 1.00 GRIN2B (0.42) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL1337399 0.84 GRIN2B (0.42) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL37560 0.74 GRIN2B (0.42) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL37561 0.74 GRIN2B (0.42) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL1335289 0.72 GRIN2B (0.56) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL15908894 0.72 GRIN2B (0.56) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL65166 0.70 GRIN2B (0.53) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL16497829 0.70 GRIN2B (0.53) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL1337229 0.69 GRIN2B (0.41) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL16497896 0.69 GRIN2B (0.50) GRIN2BDPP4DPP9DPP7HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 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-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S GRIN2B 219/4885DPP4 2480/4885DPP9 3686/4885

“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.