SCHEMBL4005243

SCHEMBL4005243

CCN(CC)CCN1CCc2cc(N)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.46
NOS1 P29475 5/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
PTK2B Q14289 1/20 0.46
ESR2 Q92731 1/20 0.46
ATAD2 Q6PL18 1/20 0.43
NOS2 P35228 3/20 0.40
KCNH2 Q12809 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
CDK4 P11802 1/20 0.39
ALOX15 P16050 1/20 0.39
CCND1 P24385 1/20 0.39
RAD52 P43351 3/20 0.37

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
SCHEMBL2675872 0.92 NOS3 (0.54) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL188501 0.85 ALDH1A1 (0.63) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL3656320 0.83 MAPT (0.49) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL15037990 0.81 NOS3 (0.47) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL2676049 0.81 NOS3 (0.54) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL12333943 0.80 ALDH1A1 (0.50) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL4411978 0.80 MAPT (0.52) NOS3NOS1MAPTALDH1A1KDM4E
SCHEMBL30168583 0.80 ATAD2 (0.55) MAPTALDH1A1KDM4ELMNAPTK2B
SCHEMBL618018 0.80 ATAD2 (0.55) MAPTALDH1A1KDM4ELMNAPTK2B
SCHEMBL14827765 0.79 ALDH1A1 (0.44) MAPTALDH1A1KDM4ELMNAPTK2B

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
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
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 NOS3 1456/4885NOS1 1757/4885MAPT 4346/4885

“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.