SCHEMBL15908952

SCHEMBL15908952

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.48
ACACB O00763 13/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 1/20 0.38
CXCR3 P49682 1/20 0.37

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
SCHEMBL15908998 0.88 GRIN2B (0.50) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL15909325 0.85 GRIN2B (0.47) GRIN2BACACBHRH3FFAR1
SCHEMBL15909210 0.85 GRIN2B (0.47) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL15908905 0.79 GRIN2B (0.47) GRIN2BACACBHCRTR1HCRTR2FFAR1
SCHEMBL65166 0.79 GRIN2B (0.53) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL1335289 0.79 GRIN2B (0.56) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL15908894 0.79 GRIN2B (0.56) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL16497829 0.79 GRIN2B (0.53) GRIN2BACACBHCRTR1HCRTR2HRH3
SCHEMBL15908972 0.78 TACR1 (0.46) GRIN2BACACBHRH3FFAR1
SCHEMBL37560 0.77 GRIN2B (0.42) GRIN2BACACBHCRTR1HCRTR2HRH3

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
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

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-20110294854-A1 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ORAI1, CACNA1E, RYR1 GRIN2B 183/4885ACACB 2727/4885HCRTR1 260/4885

“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.