SCHEMBL4774404

SCHEMBL4774404

CN1CCN(C(=O)C(N)Cc2ccc(Br)s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 5/20 0.42
AKT1 P31749 3/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
OPRK1 P41145 2/20 0.37
NPC1 O15118 1/20 0.36
DPP4 P27487 1/20 0.36
MC4R P32245 1/20 0.36
AKT2 P31751 1/20 0.36
AKT3 Q9Y243 1/20 0.36

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
SCHEMBL4776526 0.83 ALDH1A1 (0.46) KDM4EL3MBTL1AKT1DPP4
SCHEMBL4779013 0.82 HDAC8 (0.60) HDAC8NPC1DPP4
SCHEMBL4779003 0.82 HDAC8 (0.60) HDAC8NPC1DPP4
SCHEMBL4778559 0.81 HDAC8 (0.40) KDM4EL3MBTL1CHRM1AKT1HDAC8
SCHEMBL4774505 0.81 CACNA2D1 (0.50) KDM4EMAPTNPC1
SCHEMBL4771004 0.81 SMN1; SMN2 (0.50) TDP1AKT1MAPTHTTDPP4
SCHEMBL4776992 0.80 CTSC (0.51) HSD17B10CHRM1HTTHDAC8DPP4
SCHEMBL4780105 0.79 KDM4E (0.51) KDM4EL3MBTL1AKT1MAPT
SCHEMBL4775585 0.79 ALDH1A1 (0.51) KDM4ETDP1L3MBTL1AKT1MAPT
SCHEMBL4780021 0.78 MAPT (0.46) KDM4EHSD17B10AKT1MAPTHTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO 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 (1 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 KDM4E 107/4885TDP1 895/4885L3MBTL1 2113/4885

“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.