SCHEMBL3858077

SCHEMBL3858077

CCN(CC)CCCOc1ccc(CN)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.57
ALDH1A1 P00352 2/20 0.55
ACHE P22303 5/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCHE P06276 3/20 0.47
CSNK2A1 P68400 2/20 0.46
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL7374934 0.94 BIRC5 (0.57) BIRC5ALDH1A1KDM4ETDP1CSNK2A1
SCHEMBL6811225 0.93 BIRC5 (0.62) BIRC5ALDH1A1ACHEKDM4EBCHE
SCHEMBL14399553 0.88 BIRC5 (0.60) BIRC5ALDH1A1ACHEKDM4ETDP1
SCHEMBL7371543 0.87 BIRC5 (0.62) BIRC5ALDH1A1KDM4ECSNK2A1ATM
SCHEMBL13191524 0.83 CSNK2A1 (0.55) ALDH1A1KDM4ECSNK2A1ATMSMN1; SMN2
SCHEMBL4041381 0.82 KDM4E (0.59) BIRC5ALDH1A1ACHEKDM4ETDP1
SCHEMBL12845311 0.81 BIRC5 (0.66) BIRC5ALDH1A1ACHEBCHESMN1; SMN2
SCHEMBL10537941 0.81 S1PR2 (0.54) KDM4ECSNK2A1ATM
SCHEMBL8107846 0.80 KDM4E (0.58) KDM4ECSNK2A1ATM
SCHEMBL2573003 0.79 PTPN1 (0.49) BIRC5ALDH1A1KDM4ETDP1CSNK2A1

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 BIRC5 2486/4885ALDH1A1 4302/4885ACHE 1845/4885

“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.