SCHEMBL4774397

SCHEMBL4774397

Cc1cccc(CC(N)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
CYP3A4 P08684 2/20 0.52
CHRM1 P11229 2/20 0.52
OPRK1 P41145 2/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
HPN P05981 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2C P18825 1/20 0.52
CNR1 P21554 1/20 0.52
DRD1 P21728 1/20 0.52
DRD4 P21917 1/20 0.52
SLC6A2 P23975 1/20 0.52
HRH2 P25021 1/20 0.52
HTR2A P28223 1/20 0.52

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
SCHEMBL4776603 0.88 KMT2A (0.60) KMT2ACHRM1USP2MEN1MAPK1
SCHEMBL4776988 0.86 HDAC8 (0.60) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4777024 0.84 CHRM2 (0.56) KMT2AOPRK1CHRM2MEN1LMNA
SCHEMBL4776905 0.84 CACNA2D1 (0.61) KMT2AOPRK1SLC6A4OPRM1CACNA2D1
SCHEMBL4778274 0.81 DPP4 (0.61) KMT2ACHRM1HRH2HRH1CACNA2D1
SCHEMBL7391221 0.80 DPP8 (0.62) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL7391223 0.80 DPP8 (0.62) KMT2AMEN1CACNA2D1CACNA1BCACNB1
SCHEMBL4775004 0.80 AKT1 (0.55) KMT2ACHRM1USP2KCNH2MEN1
SCHEMBL4776632 0.80 NPSR1 (0.55) KMT2AOPRK1USP2CNR1MEN1
SCHEMBL4776945 0.80 DPP8 (0.59) KMT2AMEN1CACNA2D1CACNA1BCACNB1

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 KMT2A 41/4885CYP3A4 1320/4885CHRM1 557/4885

“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.