SCHEMBL37525

SCHEMBL37525

C[C@@]1(NC(=O)c2cccc(F)c2)CC[C@@H]2CN(c3cccc(C(F)(F)F)n3)C[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.46
GRM4 Q14833 1/20 0.44
ACACB O00763 10/20 0.40
HTR1A P08908 1/20 0.40
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CXCR3 P49682 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL15909032 1.00 GRIN2B (0.46) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL37651 1.00 GRIN2B (0.46) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL37577 0.91 GRIN2B (0.50) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL15908971 0.91 GRIN2B (0.50) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL15908925 0.91 GRIN2B (0.50) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL15909114 0.85 ACACB (0.52) GRIN2BACACBHCRTR1HCRTR2CXCR3
SCHEMBL37538 0.85 ACACB (0.52) GRIN2BACACBHCRTR1HCRTR2CXCR3
SCHEMBL15909041 0.85 ACACB (0.52) GRIN2BACACBHCRTR1HCRTR2CXCR3
SCHEMBL15908891 0.83 GRIN2B (0.45) GRIN2BGRM4ACACBHTR1AHCRTR1
SCHEMBL15909129 0.80 GRIN2B (0.45) GRIN2BGRM4ACACBHTR1AHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796470-B2 Substituted octahydrocyclopenta[c]pyrroles as calcium channel modulators ABBVIE INC. (US) 2014-08-05 US claimed
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO claimed
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
WO-2011149993-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA[c]PYRROLES AS CALCIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-12-01 WO 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 183/4885GRM4 632/4885ACACB 2727/4885

“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.