SCHEMBL13025545

SCHEMBL13025545

CN1C[C@H]2CCN(c3ccc(NC(=O)c4ccc(NC(=O)C5CCCC5)cc4)cc3)[C@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.58
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRM4 Q14833 1/20 0.45
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
PTPN1 P18031 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
SCHEMBL13025579 0.86 HRH3 (0.57) HRH3NPC1RAB9AALDH1A1
SCHEMBL13025554 0.84 HRH3 (0.55) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025552 0.84 HRH3 (0.72) HRH3NPC1RAB9ASMN1; SMN2KCNH2
SCHEMBL13025574 0.82 HRH3 (0.73) HRH3NPC1RAB9AKMT2AMEN1
SCHEMBL13025641 0.81 HRH3 (0.52) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025612 0.81 HRH3 (0.52) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025548 0.81 HRH3 (0.52) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025544 0.81 MAPT (0.65) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025647 0.81 MAPT (0.54) HRH3NPC1RAB9AALDH1A1KMT2A
SCHEMBL13025650 0.81 HRH3 (0.53) HRH3NPC1RAB9AALDH1A1KMT2A

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 HRH3 288/4885NPC1 814/4885RAB9A 3902/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT HRH3 288/4885NPC1 814/4885RAB9A 3902/4885

“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.