SCHEMBL66173

SCHEMBL66173

CC(C)(C)OC(=O)N[C@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cn3)C[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.48
HCRTR2 O43614 5/20 0.48
HSD11B1 P28845 5/20 0.47
CACNA1B Q00975 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ABL1 P00519 1/20 0.44
LMNA P02545 1/20 0.44
SYK P43405 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ACACB O00763 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2418879 0.86 HCRTR1 (0.50) HCRTR1HCRTR2HSD11B1CACNA1BKDM4E
SCHEMBL4470860 0.83 SYK (0.53) HCRTR1HCRTR2HSD11B1KDM4EABL1
SCHEMBL66427 0.81 CACNA1B (0.64) HCRTR1HCRTR2HSD11B1CACNA1BKDM4E
SCHEMBL1337049 0.80 CACNA1B (0.56) HCRTR1HCRTR2HSD11B1CACNA1BACACB
SCHEMBL1351080 0.80 SYK (0.63) HSD11B1KDM4EABL1LMNASYK
SCHEMBL1351078 0.80 SYK (0.63) HSD11B1KDM4EABL1LMNASYK
SCHEMBL24630475 0.79 HSD11B1 (0.58) HSD11B1KDM4EABL1LMNASYK
SCHEMBL29773191 0.79 HSD11B1 (0.58) HSD11B1KDM4EABL1LMNASYK
SCHEMBL1337157 0.79 CACNA1B (0.63) CACNA1BLMNAMAPTACACB
SCHEMBL1335745 0.79 CACNA1B (0.64) HCRTR1HCRTR2CACNA1BACACB

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-8129417-B2 Substituted octahydrocyclopenta[C]pyrrol-4-amines as calcium channel blockers ABBOTT LABORATORIES (US) 2012-03-06 US disclosed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US 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 HCRTR1 268/4885HCRTR2 271/4885HSD11B1 2995/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S HCRTR1 268/4885HCRTR2 271/4885HSD11B1 2995/4885

“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.