SCHEMBL344754

SCHEMBL344754

CNC(=O)c1cc(CN(CCC2(C)CCN(c3cnc4cc(Cl)ccc4n3)CC2)C(=O)O)on1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
HCRTR2 O43614 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PTPN11 Q06124 2/20 0.34
PDE10A Q9Y233 1/20 0.34
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
CNR1 P21554 3/20 0.33
NAPEPLD Q6IQ20 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HCRTR1 O43613 1/20 0.32
OGA O60502 1/20 0.32
MAPT P10636 3/20 0.31
TP53 P04637 2/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL345259 0.92 HRH4 (0.40) HRH4HCRTR2HDAC6PTPN11PDE10A
SCHEMBL345648 0.89 HRH4 (0.38) HRH4HCRTR2HDAC6PTPN11PDE10A
SCHEMBL344750 0.81 HRH4 (0.43) HRH4PDE10ADGAT1KCNH2MEN1
SCHEMBL9993658 0.77 HRH3 (0.38) HRH4HDAC6PDE10ADGAT1KCNH2
SCHEMBL345630 0.76 PKM (0.36) HDAC6KCNH2PARP1OGA
SCHEMBL2360815 0.74 HRH4 (0.53) HRH4HCRTR2PTPN11PDE10ADGAT1
Hydrochloric Acid SCHEMBL344560 0.73 SMYD3 (0.35) NPC1RAB9A
SCHEMBL9993011 0.73 HRH3 (0.39) HRH4HDAC6PDE10ADGAT1KCNH2
SCHEMBL9992776 0.69 PDE10A (0.40) PDE10ANAPEPLDRAB9APARP1
SCHEMBL345257 0.69 PKM (0.35) HDAC6KCNH2KMT2APARP1OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A HRH4 72/4885HCRTR2 359/4885HDAC6 706/4885

“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.