SCHEMBL2886408

SCHEMBL2886408

CC(C)(C)OC(=O)N1CCC2(CCN(c3ccc(N)cc3F)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.52
HDAC2 Q92769 2/20 0.49
HDAC1 Q13547 1/20 0.49
PARP1 P09874 4/20 0.46
TNKS O95271 2/20 0.46
TNKS2 Q9H2K2 2/20 0.46
SCD5 Q86SK9 1/20 0.46
NR1H2 P55055 1/20 0.45
HRH3 Q9Y5N1 4/20 0.44
ACACB O00763 4/20 0.42
GPR183 P32249 1/20 0.42
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4299226 0.95 CYP11B2 (0.48) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL25024580 0.95 HDAC2 (0.49) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL5229396 0.89 HDAC2 (0.45) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL29772893 0.88 CYP11B2 (0.50) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL24628132 0.88 CYP11B2 (0.50) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL22165053 0.88 NR1H2 (0.46) CYP11B2HDAC2HDAC1PARP1NR1H2
SCHEMBL31548466 0.88 NR1H2 (0.46) CYP11B2HDAC2HDAC1PARP1NR1H2
SCHEMBL25326735 0.84 USP30 (0.47) CYP11B2HDAC2HDAC1PARP1TNKS
SCHEMBL660403 0.83 NR1H2 (0.53) NR1H2ALDH1A1LMNAMAPTMAPK1
SCHEMBL29508938 0.83 NR1H2 (0.53) NR1H2ALDH1A1LMNAMAPTMAPK1

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 CYP11B2 9/4885HDAC2 1422/4885HDAC1 1864/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT CYP11B2 9/4885HDAC2 1422/4885HDAC1 1864/4885

“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.