SCHEMBL66816

SCHEMBL66816

CC(=O)NC1CCC2CNCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
OGA O60502 1/20 0.38
CHRNB2 P17787 6/20 0.37
CHRNA4 P43681 6/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRNA7 P36544 4/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33

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
SCHEMBL9871837 1.00 ATM (0.39) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9873249 0.89 ALDH1A1 (0.42) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9874618 0.89 KDM4E (0.39) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL9873855 0.89 ALDH1A1 (0.42) ATMOGACHRNB2CHRNA4CHRNB4
SCHEMBL2416817 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL5649655 0.85 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL16481442 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL9874318 0.81 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3TLR9
SCHEMBL66931 0.77 BTK (0.39) TLR9TLR8TLR7CYP2C9
SCHEMBL14367716 0.77 BTK (0.39) TLR9TLR8TLR7CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149995-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA [C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-12-01 WO claimed
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2011-11-17 US claimed
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US claimed
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US claimed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP claimed
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
US-20100130558-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-05-27 US disclosed
US-5017708-A Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1991-05-21 US disclosed
EP-0359172-A1 Azabicycloalkanes SHIONOGI & CO., LTD. (JP) 1990-03-21 EP 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 ATM 4237/4885OGA 2134/4885CHRNB2 285/4885
US-20110281870-A1 NOVEL SUBSTITUTED OCTAHYDROCYCLOPENTA[C]PYRROL-4-AMINES AS CALCIUM CHANNEL BLOCKERS CACNA1C, ORAI1, CACNA1S ATM 4237/4885OGA 2134/4885CHRNB2 285/4885

“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.