SCHEMBL65166

SCHEMBL65166

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.53
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
ACACB O00763 5/20 0.41
CXCR3 P49682 1/20 0.39
FFAR1 O14842 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PTPN11 Q06124 5/20 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
SCHEMBL16497829 1.00 GRIN2B (0.53) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL15908894 0.84 GRIN2B (0.56) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL1335289 0.84 GRIN2B (0.56) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL15908998 0.81 GRIN2B (0.50) GRIN2BHCRTR1HCRTR2ACACBFFAR1
SCHEMBL25154530 0.80 GRIN2B (0.60) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL4483176 0.80 GRIN2B (0.56) GRIN2BDPP4DPP9DPP7HCRTR1
SCHEMBL15908952 0.79 GRIN2B (0.48) GRIN2BHCRTR1HCRTR2ACACBCXCR3
SCHEMBL1337071 0.78 GRIN2B (0.47) GRIN2BHCRTR1HCRTR2ACACBHRH3
SCHEMBL15909210 0.78 GRIN2B (0.47) GRIN2BHCRTR1HCRTR2ACACBCXCR3
SCHEMBL15909325 0.78 GRIN2B (0.47) GRIN2BACACBFFAR1HRH3

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-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
EP-2367790-A2 SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-09-28 EP disclosed
WO-2010062927-A2 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA(C)PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-06-03 WO disclosed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 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-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S GRIN2B 219/4885DPP4 2480/4885DPP9 3686/4885
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.