SCHEMBL5423698

SCHEMBL5423698

CC(=O)NCN1CCCCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.78
ALDH1A1 P00352 9/20 0.47
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL718206 0.98 NPSR1 (0.82) NPSR1ALDH1A1NPC1KDM4EHTT
Acetic Acid SCHEMBL27274362 0.96 NPSR1 (0.72) NPSR1ALDH1A1NPC1KDM4EHTT
SCHEMBL13165679 0.88 NPSR1 (1.00) NPSR1ALDH1A1KDM4EPOLBMEN1
SCHEMBL11421204 0.81 ALDH1A1 (0.50) NPSR1ALDH1A1NPC1TDP1MAPT
SCHEMBL13993828 0.80 NPSR1 (0.83) NPSR1ALDH1A1KDM4ETDP1CA12
SCHEMBL7105166 0.79 NPSR1 (0.50) NPSR1ALDH1A1NPC1KDM4EHTT
SCHEMBL24737682 0.78 NPSR1 (0.72) NPSR1KDM4ECA12CA1CA2
SCHEMBL84855 0.78 NPC1 (0.64) NPSR1ALDH1A1NPC1KDM4EMAPT
SCHEMBL14385466 0.78 NPSR1 (0.72) NPSR1ALDH1A1KDM4EHTTTDP1
SCHEMBL8139355 0.78 NPC1 (0.64) NPSR1ALDH1A1NPC1KDM4EMAPT

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-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2014-05-29 US disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
EP-0342675-A2 Novel quinolonecarboxylic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1989-11-23 EP 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 (4 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 NPSR1 76/4885ALDH1A1 3960/4885NPC1 1939/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 NPSR1 2459/4885ALDH1A1 3733/4885NPC1 250/4885
US-20140147386-A1 1-ARYL-4-METHYL-[1,2,4]TRIAZOLO[4,3-a]QUINOXALINE DERIVATIVES PDE2A, PDE12, PDE5A NPSR1 1740/4885ALDH1A1 929/4885NPC1 2810/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 NPSR1 2459/4885ALDH1A1 3733/4885NPC1 250/4885

“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.