SCHEMBL345259

SCHEMBL345259

CCC1(CCN(Cc2cc(C(=O)NC)no2)C(=O)O)CCN(c2cnc3cc(Cl)ccc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.40
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 1/20 0.35
HCRTR2 O43614 3/20 0.34
PDE10A Q9Y233 1/20 0.33
HDAC6 Q9UBN7 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
CNR1 P21554 3/20 0.32
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTPN11 Q06124 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HCRTR1 O43613 2/20 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
SCHEMBL345648 0.93 HRH4 (0.38) HRH4PPARGPPARDHCRTR2PDE10A
SCHEMBL344754 0.92 HRH4 (0.40) HRH4HCRTR2PDE10AHDAC6NAPEPLD
SCHEMBL344750 0.80 HRH4 (0.43) HRH4PDE10ADGAT1KCNH2MEN1
SCHEMBL345257 0.77 PKM (0.35) HDAC6KCNH2KMT2A
SCHEMBL9993658 0.76 HRH3 (0.38) HRH4PDE10AHDAC6NAPEPLDDGAT1
Hydrochloric Acid SCHEMBL345290 0.75 SMYD3 (0.33) NPC1RAB9A
SCHEMBL2331847 0.75 HRH4 (0.52) HRH4PPARGPPARDPPARAHCRTR2
SCHEMBL9993011 0.72 HRH3 (0.39) HRH4PDE10AHDAC6NAPEPLDDGAT1
SCHEMBL2331854 0.69 HRH4 (0.54) HRH4PPARDHCRTR2PDE10ACNR1
SCHEMBL9992776 0.69 PDE10A (0.40) PDE10ANAPEPLDRAB9A

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.