SCHEMBL11954569

SCHEMBL11954569

CCOC(=O)CCCNc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.57
PDE5A O76074 1/20 0.51
ELANE P08246 1/20 0.51
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ITGB3 P05106 2/20 0.47
ITGAV P06756 2/20 0.47
LTA4H P09960 1/20 0.47
NOS2 P35228 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
NSD2 O96028 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 2/20 0.47
ITGB1 P05556 1/20 0.46
ITGB5 P18084 1/20 0.46

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
SCHEMBL7377874 0.96 TOP2A (0.53) TOP2APDE5AELANEALDH1A1SMN1; SMN2
SCHEMBL15714331 0.95 TOP2A (0.52) TOP2APDE5AELANEALDH1A1LMNA
SCHEMBL1602631 0.92 TOP2A (0.56) TOP2AALDH1A1SMN1; SMN2LMNALTA4H
Hydrochloric Acid SCHEMBL15562708 0.90 TOP2A (0.54) TOP2AALDH1A1SMN1; SMN2LMNALTA4H
Sulfuric Acid SCHEMBL14696970 0.86 TOP2A (0.51) TOP2AALDH1A1LMNAITGB3ITGAV
SCHEMBL5856769 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNAITGB3ITGAV
SCHEMBL7358505 0.82 LMNA (0.52) ELANEALDH1A1SMN1; SMN2LMNANOS2
SCHEMBL7926975 0.81 HDAC4 (0.67) ALDH1A1NOS2NPC1RAB9AHTT
SCHEMBL7450086 0.81 HTT (0.51) TOP2AALDH1A1SMN1; SMN2LMNAITGB3
SCHEMBL7859968 0.81 NPC1 (0.47) ALDH1A1SMN1; SMN2LMNAITGB3ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TOP2A 4056/4885PDE5A 2091/4885ELANE 964/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TOP2A 4056/4885PDE5A 2091/4885ELANE 964/4885

“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.