SCHEMBL4008967

SCHEMBL4008967

CCN(CC)CCCOc1ccc(N)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.54
MAOA P21397 2/20 0.52
CHRM2 P08172 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2C P28335 1/20 0.52
CHRNA4 P43681 1/20 0.52
HTR3A P46098 1/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
GLA P06280 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
BIRC5 O15392 1/20 0.46
CSNK2A1 P68400 2/20 0.44

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
SCHEMBL3857536 0.92 MAOA (0.57) KDM4EMAOACHRM2CHRM3HTR2C
Hydrochloric Acid SCHEMBL4009662 0.91 MAOA (0.56) KDM4EMAOACHRM2CHRM3HTR2C
SCHEMBL11757210 0.84 KDM4E (0.63) KDM4EMAOACHRM2CHRM3HTR2C
SCHEMBL6816572 0.84 KDM4E (0.53) KDM4EMAOAHRH3ALDH1A1TDP1
Hydrochloric Acid SCHEMBL11749638 0.83 KDM4E (0.66) KDM4EMAOACHRM2CHRM3HTR2C
SCHEMBL3788715 0.82 SMN1; SMN2 (0.65) KDM4EALDH1A1TDP1SMN1; SMN2GLA
SCHEMBL7783490 0.82 KDM4E (0.51) KDM4EMAOAHTR2CHRH3ALDH1A1
SCHEMBL4041381 0.82 KDM4E (0.59) KDM4EALDH1A1TDP1CYP1A2CYP2D6
SCHEMBL3441955 0.82 KDM4E (0.51) KDM4EMAOACHRM2CHRM3HTR2C
SCHEMBL3788764 0.80 MAPT (0.66) KDM4EALDH1A1SMN1; SMN2GLACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
CN-1708476-A Novel amide compounds having MCH-antagonistic action and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R KDM4E 1359/4885MAOA 501/4885CHRM2 108/4885

“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.