SCHEMBL4608992

SCHEMBL4608992

O=C1CCC(=O)N1CCOc1ccc(-c2cccc3cccnc23)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
BMPR1A P36894 4/20 0.37
ACVRL1 P37023 4/20 0.37
ACVR1 Q04771 4/20 0.37
BMPR1B O00238 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
METAP2 P50579 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL4591319 0.84 CYP11B1 (0.41) BMPR1AACVRL1ACVR1BMPR1BLMNA
SCHEMBL4590732 0.84 RAB9A (0.42) BMPR1AACVRL1ACVR1BMPR1BRAB9A
SCHEMBL4590063 0.80 CNR2 (0.41) CNR2RAB9ANPSR1HPGDNPC1
SCHEMBL4590822 0.79 RAB9A (0.47) RAB9ANPSR1MAPTHPGDNPC1
SCHEMBL4590888 0.78 CYP11B1 (0.46) KDM4ERAB9ANPC1ALDH1A1DRD2
SCHEMBL4590077 0.76 RAB9A (0.41) RAB9ANPSR1HPGDNPC1METAP2
SCHEMBL4590894 0.76 MEN1 (0.44) KDM4ELMNARAB9ANPSR1MAPT
SCHEMBL4591402 0.75 BMP4 (0.39) RAB9ANPC1CYP1A2CYP2D6
SCHEMBL4590873 0.75 CYP4F2 (0.35) RAB9ANPSR1HPGDNPC1ALDH1A1
SCHEMBL4590923 0.75 FFAR4 (0.44) CNR2RAB9ANPSR1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518976-B2 e.g. 1-(3-(6-(2-fluorophenyl)pyridin-3-yl)propyl)-1H-pyridin-2-one; endothelial nitric oxide NO synthase inhibitor; antiinflammatory, hypotensive agent; atherosclerosis, thrombosis, coronary artery disease, and cardiac insufficiency SANOFI (FR) 2013-08-27 US disclosed
EP-1899321-B1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2011-12-28 EP disclosed
US-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
EP-1899321-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED LINKER GROUP, AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2008-03-19 EP disclosed
WO-2007000246-A1 HETEROARYL-SUBSTITUTED AMIDES COMPRISING A SATURATED 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-20080171739-A1 Heteroaryl-Substituted Amides Comprising A Saturated Linker Group, And Their Use As Pharmaceuticals TBXAS1, PTGIS, NOS2 CNR2 59/4885BMPR1A 1741/4885ACVRL1 1015/4885

“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.