SCHEMBL3858593

SCHEMBL3858593

CCN(CC)CCNc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPT P10636 6/20 0.52
PKM P14618 3/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KAT2B Q92831 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP2C9 P11712 1/20 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
SCHEMBL6815730 0.86 ALDH1A1 (0.63) MEN1KMT2AMAPTPKMHTT
SCHEMBL1594633 0.85 MAPT (0.56) MAPTPKMALDH1A1LMNASMN1; SMN2
SCHEMBL17538567 0.84 MEN1 (0.57) MEN1KMT2AMAPTPKMHTT
SCHEMBL9650155 0.84 CHEK1 (0.50) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL1595017 0.84 MAPT (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7778718 0.82 ALDH1A1 (0.57) MEN1KMT2AMAPTPKMHTT
Hydrochloric Acid SCHEMBL9652307 0.82 CHEK1 (0.48) MEN1KMT2AMAPTALDH1A1KAT2B
SCHEMBL9760920 0.82 LMNA (0.55) MEN1KMT2AMAPTPKMHTT
SCHEMBL6814378 0.81 MEN1 (0.58) MEN1KMT2AMAPTPKMHTT
Hydrochloric Acid SCHEMBL9760063 0.81 LMNA (0.54) MEN1KMT2AMAPTPKMHTT

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (2 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 MEN1 1225/4885KMT2A 571/4885MAPT 4346/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 MEN1 807/4885KMT2A 678/4885MAPT 4341/4885

“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.