SCHEMBL3858737

SCHEMBL3858737

CCN(CC)CCOc1ccc([N+](=O)[O-])c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.51
CHRNA7 P36544 1/20 0.51
KCNH2 Q12809 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
MAOB P27338 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
SMARCA2 P51531 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 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
SCHEMBL14453653 0.89 KDM4E (0.56) KDM4EMAPTKMT2ACHRNA7KCNH2
SCHEMBL1665803 0.87 MAPT (0.55) KDM4EMAPTKMT2ACHRNA7KCNH2
SCHEMBL10137307 0.86 CHRNB2 (0.58) KDM4EMAPTKCNH2ALDH1A1LMNA
SCHEMBL28853175 0.84 MAPT (0.60) KDM4EMAPTKMT2AALDH1A1LMNA
SCHEMBL2976365 0.83 MAPT (0.50) MAPTKMT2ACHRNA7KCNH2MAOB
SCHEMBL4983657 0.83 KDM4E (0.66) KDM4EMAPTKMT2ACHRNA7KCNH2
SCHEMBL6807358 0.83 MAPT (0.46) MAPTKCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL4313616 0.82 KCNH2 (0.49) MAPTKMT2ACHRNA7KCNH2SIGMAR1
SCHEMBL24623020 0.81 MAPT (0.57) MAPTKMT2ACHRNA7KCNH2MAOB
SCHEMBL10628038 0.81 MAPT (0.67) KDM4EMAPTKMT2AALDH1A1LMNA

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 5 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-1708698-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-11 EP disclosed
WO-2005063239-A9 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INT (DE) 2006-03-09 WO 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
WO-2005063239-A1 3-(4-PIPERIDINE-1YLMETHYL-PHENYL)-PROPION ACID-PHENYLAMIDE-DERIVATIVES AND RELATED COMPOUNDS USED IN THE FORM OF MCH ANTAGONISTS (MELANINE CONCENTRATING HORMONE) FOR TREATING EATING DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-14 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 KDM4E 1277/4885MAPT 4341/4885KMT2A 678/4885

“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.