SCHEMBL3874170

SCHEMBL3874170

O=C1CCCC(=O)N1C/C=C/c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
LMNA P02545 4/20 0.35
MAPT P10636 3/20 0.35
KCNH2 Q12809 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
HTR4 Q13639 1/20 0.35
HSD11B1 P28845 1/20 0.35
CYP2D6 P10635 3/20 0.34
HIF1A Q16665 2/20 0.34
OPRM1 P35372 2/20 0.34
HTR2A P28223 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34

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
SCHEMBL3874171 1.00 MEN1 (0.38) MEN1KMT2ANPC1RXFP1CYP11B1
SCHEMBL4918921 0.95 NPC1 (0.40) MEN1KMT2ANPC1RXFP1CYP11B1
SCHEMBL4918925 0.95 NPC1 (0.40) MEN1KMT2ANPC1RXFP1CYP11B1
Trifluoroacetic Acid SCHEMBL3871746 0.92 ASIC1 (0.38) MEN1KMT2ANPC1RXFP1LMNA
Trifluoroacetic Acid SCHEMBL3871750 0.92 ASIC1 (0.38) MEN1KMT2ANPC1RXFP1LMNA
Trifluoroacetic Acid SCHEMBL3885352 0.87 NPC1 (0.39) MEN1KMT2ANPC1RXFP1LMNA
Trifluoroacetic Acid SCHEMBL3885351 0.87 NPC1 (0.39) MEN1KMT2ANPC1RXFP1LMNA
SCHEMBL4920453 0.86 KCNH2 (0.40) NPC1RXFP1CYP11B1CYP11B2KCNH2
SCHEMBL4920460 0.86 KCNH2 (0.40) NPC1RXFP1CYP11B1CYP11B2KCNH2
SCHEMBL4923179 0.83 NPC1 (0.33) NPC1RXFP1CYP11B1CYP11B2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US claimed
US-8642620-B2 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals SANOFI (FR) 2014-02-04 US disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
EP-1904476-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS (FR) 2009-02-25 EP disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
US-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-10 US disclosed
EP-1904476-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
EP-1741708-A1 Heteroaryl-substituted amides comprising an unsaturated or cyclic linker group, and their use as pharmaceuticals Sanofi-Aventis Deutschland GmbH (DE) 2007-01-10 EP disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 WO disclosed
WO-2007000248-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING AN UNSATURATED OR CYCLIC LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (DE) 2007-01-04 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-20080167342-A1 Heteroaryl-Substituted Amides Comprising An Unsaturated Or Cyclic Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 MEN1 3988/4885KMT2A 2212/4885NPC1 2910/4885

“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.