SCHEMBL1335289

SCHEMBL1335289

O[C@@H]1CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.56
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
ACACB O00763 8/20 0.43
DPP4 P27487 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LCAT P04180 2/20 0.39
GRM4 Q14833 1/20 0.39
FFAR1 O14842 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL15908894 1.00 GRIN2B (0.56) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL65166 0.84 GRIN2B (0.53) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL16497829 0.84 GRIN2B (0.53) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL15908998 0.81 GRIN2B (0.50) GRIN2BHCRTR1HCRTR2ACACBHRH3
SCHEMBL25154530 0.80 GRIN2B (0.60) GRIN2BHCRTR1HCRTR2ACACBDPP4
SCHEMBL15908952 0.79 GRIN2B (0.48) GRIN2BHCRTR1HCRTR2ACACBHRH3
SCHEMBL15909325 0.78 GRIN2B (0.47) GRIN2BACACBHRH3FFAR1
SCHEMBL15909210 0.78 GRIN2B (0.47) GRIN2BHCRTR1HCRTR2ACACBHRH3
SCHEMBL1337071 0.78 GRIN2B (0.47) GRIN2BHCRTR1HCRTR2ACACBHRH3
SCHEMBL15909213 0.77 GRIN2B (0.47) GRIN2BHCRTR1HCRTR2ACACBDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US claimed
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US disclosed
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 US disclosed
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 (2 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 219/4885HCRTR1 268/4885HCRTR2 271/4885
US-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 GRIN2B 183/4885HCRTR1 260/4885HCRTR2 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.