SCHEMBL13025656

SCHEMBL13025656

CN1C[C@H]2CCN(c3ccc(NC(=O)c4ccc(OCC5CCCCO5)cc4)cc3)[C@H]2C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.65
NPC1 O15118 11/20 0.65
SMN1; SMN2 Q16637 10/20 0.65
LMNA P02545 1/20 0.65
ALDH1A1 P00352 3/20 0.59
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
MAPT P10636 4/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 1/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL13025644 0.98 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025612 0.87 HRH3 (0.52) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025641 0.87 HRH3 (0.52) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025650 0.86 HRH3 (0.53) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025544 0.83 MAPT (0.65) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025647 0.83 MAPT (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025585 0.82 HRH3 (0.53) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025645 0.82 MAPT (0.56) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025554 0.81 HRH3 (0.55) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL13025594 0.80 MAPT (0.59) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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 RAB9A 3902/4885NPC1 814/4885SMN1; SMN2 3283/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT RAB9A 3902/4885NPC1 814/4885SMN1; SMN2 3283/4885

“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.