SCHEMBL13025539

SCHEMBL13025539

CCCCOc1ccc(C(=O)Nc2ccc(N3CC[C@H]4[C@@H]3CCN4C)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.66
HSD17B10 Q99714 3/20 0.66
TSHR P16473 3/20 0.66
HPGD P15428 1/20 0.66
TAAR1 Q96RJ0 1/20 0.66
ALDH1A1 P00352 4/20 0.60
HIF1A Q16665 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.55
NPC1 O15118 1/20 0.54
STAT3 P40763 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MCL1 Q07820 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2887209 1.00 MAPT (0.66) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL13025544 0.87 MAPT (0.65) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL13025645 0.80 MAPT (0.56) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL12547444 0.80 MAPT (0.66) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL22192246 0.79 SMN1; SMN2 (0.81) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL13025647 0.79 MAPT (0.54) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL14339548 0.78 MAPT (0.56) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL12531733 0.77 MAPT (0.63) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL1748915 0.77 MAPT (0.72) MAPTHSD17B10TSHRHPGDTAAR1
SCHEMBL2887212 0.77 MAPT (0.62) MAPTHSD17B10TSHRHPGDTAAR1

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 1384/4885TSHR 995/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT MAPT 2703/4885HSD17B10 1384/4885TSHR 995/4885

“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.