SCHEMBL2884232

SCHEMBL2884232

Cc1cc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)C2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.50
HDAC1 Q13547 1/20 0.50
CYP11B2 P19099 1/20 0.48
ACACB O00763 5/20 0.47
SCD5 Q86SK9 1/20 0.46
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 1/20 0.44
GPR183 P32249 1/20 0.43
CYP2D6 P10635 1/20 0.43
USP30 Q70CQ3 1/20 0.42
USP2 O75604 3/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 3/20 0.41
GPR119 Q8TDV5 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 3/20 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
SCHEMBL5229396 0.88 HDAC2 (0.45) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL2886266 0.85 CYP11B2 (0.52) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL4303345 0.85 CYP11B2 (0.52) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL20842160 0.84 GPR119 (0.57) CYP11B2ACACBSCD5CYP3A4CYP2C9
SCHEMBL21963775 0.83 CYP11B2 (0.52) CYP11B2ACACBSCD5CYP3A4CYP2C9
SCHEMBL24793977 0.82 HDAC2 (0.49) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL29709716 0.82 HDAC2 (0.49) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL29709632 0.82 HDAC2 (0.52) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL24793976 0.82 HDAC2 (0.52) HDAC2HDAC1CYP11B2ACACBSCD5
SCHEMBL22954519 0.82 HDAC2 (0.52) HDAC2HDAC1CYP11B2ACACBSCD5

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

“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.