SCHEMBL4006637

SCHEMBL4006637

CCN(CC)CCNc1ccc(N)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
ACHE P22303 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 3/20 0.53
PMP22 Q01453 1/20 0.53
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
IDO1 P14902 1/20 0.45
LTK P29376 1/20 0.45
LIMK1 P53667 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2D6 P10635 1/20 0.42

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
SCHEMBL14596281 0.96 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1SLC22A2
SCHEMBL2447178 0.89 ACHE (0.47) ALDH1A1TSHRLMNAMAPK1SLC22A2
SCHEMBL9364512 0.82 MAPT (0.61) ALDH1A1CHEK1PIM1IDO1LTK
SCHEMBL29570019 0.81 FLT3 (0.47) TSHRBLMCHEK1PIM1IDO1
SCHEMBL1724150 0.81 MEN1 (0.59) LMNACHEK1PIM1IDO1LTK
SCHEMBL10894905 0.81 SIGMAR1 (0.56) ALDH1A1CHEK1PIM1IDO1LTK
SCHEMBL6318640 0.80 HRH3 (0.46) ALDH1A1LMNAMAPK1ACHECYP2C19
SCHEMBL5157848 0.80 APP (0.44) ALDH1A1TSHRLMNAMAPK1SLC22A2
SCHEMBL473377 0.80 DRD4 (0.52) ALDH1A1ACHECHEK1PIM1IDO1
SCHEMBL13050090 0.80 LMNA (0.40) ALDH1A1TSHRLMNAMAPK1SLC22A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4427812-A2 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE The Regents of the University of Michigan (US) 2024-09-11 EP disclosed
EP-3934634-B1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE UNIV MICHIGAN REGENTS (US) 2024-07-24 EP disclosed
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
US-4851526-A ANTIARRYTHMIA, HYPOTENSIVE, ANTIISCHEMIC SCHERING A.G. (DE) 1989-07-25 US disclosed
EP-0306440-A2 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents SCHERING AKTIENGESELLSCHAFT (DE) 1989-03-08 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 (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 ALDH1A1 4267/4885TSHR 88/4885LMNA 4261/4885

“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.