SCHEMBL11296874

SCHEMBL11296874

CC(=O)NCCNCc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.61
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
CHRM2 P08172 1/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MCHR1 Q99705 1/20 0.48
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
THRB P10828 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 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
SCHEMBL5300637 0.84 ALDH1A1 (0.59) CNR1KMT2AMEN1CHRM2ALDH1A1
SCHEMBL196487 0.83 KMT2A (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL18198069 0.83 KDM4E (0.55) KMT2ACHRM2ALDH1A1RAB9ANPC1
SCHEMBL6381611 0.82 KMT2A (0.63) KMT2AMEN1CHRM2MAPTKDM4E
SCHEMBL11094422 0.81 CHRM2 (0.75) KMT2AMEN1CHRM2ALDH1A1SMN1; SMN2
SCHEMBL1008891 0.80 KDM4E (0.70) CNR1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL5105462 0.80 KDM4E (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL1724201 0.79 GAA (0.60) KMT2AMEN1CHRM2ALDH1A1SMN1; SMN2
SCHEMBL23033397 0.76 CNR1 (0.61) CNR1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL22834160 0.76 CNR1 (1.00) CNR1KMT2AMEN1ALDH1A1SMN1; SMN2

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 13 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-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-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 EP 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
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
CN-103328442-A Azetidine derivatives useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV 2013-09-25 CN disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 WO 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 CNR1 1922/4885KMT2A 3849/4885MEN1 3061/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC CNR1 1922/4885KMT2A 3849/4885MEN1 3061/4885

“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.