SCHEMBL4006693

SCHEMBL4006693

CC1CCN(CCc2ccc([N+](=O)[O-])cc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 4/20 0.50
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 1/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 1/20 0.44
MITF O75030 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL3858596 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL27734023 0.82 KCNJ1 (0.63) ALDH1A1SMN1; SMN2LMNAKDM4EHRH3
SCHEMBL3862523 0.80 CYP2D6 (0.58) ALDH1A1SMN1; SMN2LMNAKDM4ECYP2D6
SCHEMBL3862783 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL27636081 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL4012088 0.78 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL3856829 0.78 ALDH1A1 (0.56) ALDH1A1KDM4EL3MBTL1HRH3KCNH2
SCHEMBL27617131 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL27617133 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL17117585 0.74 KCNH2 (0.70) ALDH1A1SMN1; SMN2HRH3KCNH2ACHE

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 6 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
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 ALDH1A1 4267/4885SMN1; SMN2 2811/4885LMNA 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.