SCHEMBL2884981

SCHEMBL2884981

CC(C)(C)OC(=O)N1CC2CCN(c3ccc(N)cc3)C2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.52
LIPE Q05469 2/20 0.49
USP30 Q70CQ3 1/20 0.46
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR1H2 P55055 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL2411815 0.88 HRH3 (0.55) GPR119LIPEUSP30HRH3
SCHEMBL2411817 0.88 HRH3 (0.55) GPR119LIPEUSP30HRH3
SCHEMBL20450766 0.86 GPR119 (0.50) GPR119LIPEUSP30MAPTJAK2
SCHEMBL2879399 0.82 USP30 (0.53) GPR119LIPEUSP30NR1H2HRH3
SCHEMBL4259531 0.82 USP30 (0.53) GPR119LIPEUSP30NR1H2HRH3
SCHEMBL30127301 0.82 LIPE (0.45) GPR119LIPEUSP30ALDH1A1NR1H2
SCHEMBL650888 0.81 GPR119 (0.47) GPR119LIPEUSP30MAPT
SCHEMBL653024 0.81 GPR119 (0.47) GPR119LIPEUSP30MAPT
SCHEMBL649953 0.81 GPR119 (0.47) GPR119LIPEUSP30MAPT
SCHEMBL23132976 0.81 USP30 (0.42) GPR119LIPEUSP30ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586609-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-11-19 US disclosed
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-25 US disclosed
US-7838547-B2 Aryl-substituted polycyclic amines, method for the production thereof, and use thereof as a medicament SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-11-23 US disclosed
US-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-27 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-20070299077-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT GPR119 1212/4885LIPE 2427/4885USP30 2338/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT GPR119 1212/4885LIPE 2427/4885USP30 2338/4885

“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.