SCHEMBL3863293

SCHEMBL3863293

Nc1ccc(CCN2CCCC2)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TP53BP1 Q12888 1/20 0.53
SIGMAR1 Q99720 3/20 0.49
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.49
KCNH2 Q12809 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
ACHE P22303 2/20 0.45
HRH3 Q9Y5N1 4/20 0.44
MBTD1 Q05BQ5 1/20 0.43
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL3856829 0.83 ALDH1A1 (0.56) L3MBTL3L3MBTL1TP53BP1SIGMAR1ALDH1A1
SCHEMBL2208032 0.83 ACHE (0.60) SIGMAR1ALDH1A1POLBMAOAACHE
SCHEMBL3859176 0.81 ACHE (0.58) SIGMAR1ALDH1A1POLBMAOAACHE
SCHEMBL11755818 0.81 ACHE (0.46) L3MBTL3L3MBTL1TP53BP1SIGMAR1ALDH1A1
SCHEMBL1641699 0.80 KDM4E (0.46) SIGMAR1KCNH2ACHEHRH3KDM4E
SCHEMBL4263420 0.80 HTR1A (0.48) L3MBTL3L3MBTL1TP53BP1ALDH1A1KCNH2
SCHEMBL12005483 0.79 ACHE (0.51) L3MBTL3L3MBTL1SIGMAR1ALDH1A1ACHE
Ammonia Solution, Strong SCHEMBL6142717 0.79 HRH3 (0.47) SIGMAR1ALDH1A1ACHEHRH3MAPT
SCHEMBL18940336 0.78 ACHE (0.50) L3MBTL3L3MBTL1SIGMAR1ALDH1A1ACHE
SCHEMBL3857427 0.78 CCR5 (0.39) L3MBTL3L3MBTL1TP53BP1ALDH1A1KCNH2

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 L3MBTL3 648/4885L3MBTL1 621/4885TP53BP1 4462/4885

“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.