SCHEMBL13025645

SCHEMBL13025645

COCCCOc1ccc(C(=O)Nc2ccc(N3CC[C@@H]4CN(C)C[C@@H]43)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
HRH3 Q9Y5N1 8/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 5/20 0.49
HIF1A Q16665 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.45
NR4A1 P22736 1/20 0.44
MCL1 Q07820 1/20 0.44

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
SCHEMBL13025647 0.95 MAPT (0.54) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025544 0.93 MAPT (0.65) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025650 0.87 HRH3 (0.53) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025585 0.86 HRH3 (0.53) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025641 0.86 HRH3 (0.52) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025612 0.86 HRH3 (0.52) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025594 0.85 MAPT (0.59) MAPTHSD17B10TAAR1HRH3KMT2A
SCHEMBL13025574 0.83 HRH3 (0.73) HRH3KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL13025554 0.83 HRH3 (0.55) MAPTHSD17B10HPGDTSHRTAAR1
SCHEMBL13025656 0.82 RAB9A (0.65) MAPTHRH3KMT2AMEN1ALDH1A1

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 8 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-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-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-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
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 MAPT 2703/4885HSD17B10 1384/4885HPGD 330/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT MAPT 2703/4885HSD17B10 1384/4885HPGD 330/4885

“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.