SCHEMBL13025614

SCHEMBL13025614

CN1C[C@@H]2CCN(c3ccc(NC(=O)Cc4ccc(-c5ccc(F)cc5)cc4)cc3)[C@@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.69
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KCNH2 Q12809 2/20 0.51
MCHR1 Q99705 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
REV1 Q9UBZ9 1/20 0.45

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
SCHEMBL13025552 0.85 HRH3 (0.72) HRH3SMN1; SMN2KCNH2MCHR1NPC1
SCHEMBL13025592 0.85 HRH3 (0.56) HRH3GAAMCHR1ALDH1A1REV1
SCHEMBL3067929 0.83 HRH3 (1.00) HRH3KCNH2
SCHEMBL13025613 0.81 HRH3 (0.49) HRH3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3063128 0.78 HRH3 (0.71) HRH3KCNH2
SCHEMBL13025623 0.77 HRH3 (0.48) HRH3SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13025657 0.77 NPC1 (0.61) HRH3SMN1; SMN2KMT2AMAPTNPC1
SCHEMBL13025619 0.77 HRH3 (0.65) HRH3GAASMN1; SMN2MEN1KMT2A
SCHEMBL13025624 0.76 RAB9A (0.53) HRH3GAASMN1; SMN2KCNH2MEN1
SCHEMBL1749801 0.76 MCHR1 (0.71) HRH3GAASMN1; SMN2MCHR1MEN1

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 288/4885GAA 688/4885SMN1; SMN2 3283/4885
US-20100298378-A1 ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT PAH, NAT1, AADAT HRH3 288/4885GAA 688/4885SMN1; 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.