SCHEMBL4011648

SCHEMBL4011648

CCN(CC)CCN(C)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CB P42338 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNH2 Q12809 1/20 0.39
CYP19A1 P11511 1/20 0.39
HCAR3 P49019 1/20 0.39

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
SCHEMBL3057834 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL3060338 0.84 MAPT (0.60) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL6814695 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL6819352 0.82 MAPT (0.54) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL6819775 0.82 ALDH1A1 (0.48) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL3051216 0.81 ALDH1A1 (0.47) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL7663855 0.78 ALDH1A1 (0.48) ALDH1A1HSD17B10HTTMAPTCYP1A2
SCHEMBL3859412 0.77 HSD17B10 (0.49) ALDH1A1HSD17B10HTTTP53MAPT
SCHEMBL6814401 0.77 HSD17B10 (0.49) ALDH1A1HSD17B10MAPTKMT2ALMNA
SCHEMBL7785198 0.77 ALDH1A1 (0.56) ALDH1A1HSD17B10HTTTP53MAPT

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 3 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-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

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 4267/4885HSD17B10 1494/4885HTT 1138/4885

“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.