SCHEMBL3856906

SCHEMBL3856906

CCN(CC)CCNc1ccc(N)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SLC22A1 O15245 2/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
MPO P05164 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR4 Q13639 1/20 0.43
HTR3D Q70Z44 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
SCHEMBL10887687 0.85 KDM4E (0.51) LMNAKCNH2MEN1KMT2AKDM4E
SCHEMBL29393575 0.83 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2DRD2DRD4
SCHEMBL10890858 0.83 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2DRD2DRD4
SCHEMBL10891277 0.83 MCHR1 (0.52) LMNAALDH1A1CYP1A2CYP2D6RAB9A
SCHEMBL18570309 0.81 ABL1 (0.40) LMNAALDH1A1DRD3RAB9ATSHR
SCHEMBL15996374 0.79 ABL1 (0.54) LMNAALDH1A1RAB9AMEN1KMT2A
SCHEMBL18570445 0.78 DRD3 (0.45) DRD3KDM4EABL1
SCHEMBL3791559 0.78 CYP3A4 (0.45) LMNAALDH1A1ADRA2AADRA2CKDM4E
SCHEMBL10887063 0.78 KDM4E (0.54) LMNAKCNH2RAB9AMEN1KMT2A
SCHEMBL14419461 0.77 ALDH1A1 (0.46) ALDH1A1RAB9ATSHRACHECYP3A4

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 LMNA 4261/4885ALDH1A1 4267/4885SLC22A1 2424/4885
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 LMNA 3501/4885ALDH1A1 4302/4885SLC22A1 2532/4885

“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.