SCHEMBL345648

SCHEMBL345648

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCRTR2 O43614 2/20 0.32
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
OGA O60502 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NAPEPLD Q6IQ20 1/20 0.31
CNR1 P21554 3/20 0.31
RAB9A P51151 2/20 0.31
DGAT1 O75907 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTPN11 Q06124 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
HCRTR1 O43613 1/20 0.30

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 0.93 HRH4 (0.40) HRH4PPARGPPARDHCRTR2PDE10A
SCHEMBL344754 0.89 HRH4 (0.40) HRH4HCRTR2PDE10AOGAHDAC6
SCHEMBL344750 0.78 HRH4 (0.43) HRH4PDE10ASMN1; SMN2RAB9ADGAT1
SCHEMBL2324589 0.76 HRH4 (0.48) HRH4PPARGPPARDHCRTR2PDE10A
SCHEMBL346487 0.76 RAB9A (0.34) HPGDHSD17B10SMN1; SMN2RAB9ANPC1
SCHEMBL9993658 0.74 HRH3 (0.38) HRH4PDE10AHDAC6NAPEPLDDGAT1
SCHEMBL345771 0.73 MAPT (0.35) SMN1; SMN2NPC1KMT2A
SCHEMBL2324599 0.71 HRH4 (0.50) HRH4PPARGPPARDHCRTR2PDE10A
SCHEMBL345257 0.70 PKM (0.35) OGAHDAC6KCNH2KMT2A
SCHEMBL9993011 0.70 HRH3 (0.39) HRH4PDE10AHDAC6NAPEPLDDGAT1

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 72/4885PPARG 1460/4885PPARD 833/4885

“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.