SCHEMBL4773496

SCHEMBL4773496

NC(Cc1ccc(Br)s1)C(=O)N1CCC(c2cccc3ccccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
DRD2 P14416 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 2/20 0.39
CALCA P06881 1/20 0.37
SMYD3 Q9H7B4 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
NLN Q9BYT8 2/20 0.36
DPP4 P27487 1/20 0.36
AKT1 P31749 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
SCHEMBL4776455 0.81 AKT1 (0.52) HRH3DRD2SLC6A4HRH2HRH1
SCHEMBL4778328 0.79 SCD5 (0.43) OPRD1OPRK1SMYD3DPP4AKT1
SCHEMBL4774660 0.78 AKT1 (0.52) HRH3DRD2SLC6A4DPP4AKT1
SCHEMBL4778471 0.77 HDAC8 (0.58) HRH3DPP4AKT1AKT2AKT3
SCHEMBL4774505 0.75 CACNA2D1 (0.50)
SCHEMBL4776526 0.74 ALDH1A1 (0.46) DPP4AKT1
SCHEMBL4779003 0.73 HDAC8 (0.60) NLNDPP4
SCHEMBL4774404 0.73 KDM4E (0.50) OPRK1DPP4AKT1AKT2AKT3
SCHEMBL4779013 0.73 HDAC8 (0.60) NLNDPP4
SCHEMBL4778559 0.73 HDAC8 (0.40) HRH3AKT1

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 HRH3 110/4885HTR1D 1495/4885HTR1B 478/4885

“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.