SCHEMBL3856961

SCHEMBL3856961

Ic1ccc(CCN2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
MBTD1 Q05BQ5 2/20 0.68
L3MBTL3 Q96JM7 2/20 0.68
SIGMAR1 Q99720 4/20 0.65
SLC6A3 Q01959 1/20 0.64
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
TP53BP1 Q12888 1/20 0.50

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
SCHEMBL6619237 0.84 SLC6A3 (0.66) SIGMAR1SLC6A3
SCHEMBL5253698 0.82 SIGMAR1 (0.58) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL5253680 0.82 SIGMAR1 (0.60) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL23682835 0.81 L3MBTL1 (1.00) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL7536460 0.79 SIGMAR1 (1.00) SIGMAR1SLC6A3CYP1A2CYP3A4
SCHEMBL6225183 0.79 HRH3 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL1877934 0.79 HRH3 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL13958981 0.79 L3MBTL1 (0.96) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL23377646 0.79 HRH3 (0.68) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1
SCHEMBL1899856 0.79 HRH3 (0.71) HRH3L3MBTL1MBTD1L3MBTL3SIGMAR1

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 3 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
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

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 HRH3 129/4885L3MBTL1 621/4885MBTD1 167/4885

“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.