SCHEMBL4813633

SCHEMBL4813633

Cc1cc(F)c(N)cc1C1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.37
KCNH2 Q12809 1/20 0.37
TRPC6 Q9Y210 1/20 0.36
OPRL1 P41146 2/20 0.35
ADAM17 P78536 1/20 0.35
RBP4 P02753 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PARP10 Q53GL7 1/20 0.33
HSD11B1 P28845 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SLC9A2 Q9UBY0 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL3989140 0.87 RBP4 (0.37) SLC9A1RBP4MEN1KMT2ATLR9
SCHEMBL20836651 0.83 SLC9A1 (0.39) SLC9A1KCNH2TRPC6OPRL1RBP4
SCHEMBL28241659 0.82 QDPR (0.38) SLC9A1KCNH2TRPC6ADAM17RBP4
SCHEMBL23793957 0.80 OPRL1 (0.38) OPRL1
SCHEMBL13548439 0.79 SMYD3 (0.42) SLC9A1ADAM17TLR9TLR8TLR7
SCHEMBL13548526 0.79 TLR9 (0.38) SLC9A1KCNH2TRPC6OPRL1ADAM17
SCHEMBL4617667 0.79 LMNA (0.41) TRPC6MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3812754 0.77 DRD2 (0.41) SLC9A1KCNH2TRPC6RBP4TRPV1
SCHEMBL15524740 0.77 OPRL1 (0.41) SLC9A1TRPC6OPRL1TRPV1MEN1
SCHEMBL12649677 0.77 TLR9 (0.36) SLC9A1KCNH2ADAM17MEN1KMT2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446204-B2 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-11-04 US disclosed
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives H. LUNDBECK A/S (DK) 2008-06-12 US disclosed
US-7329656-B2 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2008-02-12 US disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed
US-20060079683-A1 Arylthiobenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 US disclosed
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent H. LUNDBECK A/S 2006-04-13 US disclosed
US-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S 2006-04-13 US disclosed
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives H. LUNDBECK A/S (DK) 2006-04-13 US disclosed
US-20050154022-A1 4-aryl piperidines H. LUNDBECK A/S 2005-07-14 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 (6 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-20060079524-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R SLC9A1 1769/4885KCNH2 2915/4885TRPC6 1047/4885
US-20060079523-A1 N-[3-(1-{[4-(4-fluorophenylthio)phenyl]methyl}(4-piperidyl))-4-methylphenyl]-2-methylpropanamide; melatonin-concentrating hormone (MCH1) receptor ligand; antidepressant, anxiolytic, antidiabetic agent MCHR1, MTNR1A, MTNR1B SLC9A1 3253/4885KCNH2 3031/4885TRPC6 1499/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 SLC9A1 1824/4885KCNH2 2723/4885TRPC6 884/4885
US-20050154022-A1 4-aryl piperidines MCHR1, MCHR2, MC1R SLC9A1 2015/4885KCNH2 1806/4885TRPC6 781/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 SLC9A1 1806/4885KCNH2 2744/4885TRPC6 891/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R SLC9A1 1689/4885KCNH2 2865/4885TRPC6 1004/4885

“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.