SCHEMBL4615341

SCHEMBL4615341

Nc1cncc(C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
DDO Q99489 1/20 0.41
CYP11B2 P19099 3/20 0.40
SCD5 Q86SK9 3/20 0.38
SCD O00767 2/20 0.38
EGLN1 Q9GZT9 6/20 0.37
QDPR P09417 1/20 0.36
BACE1 P56817 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
ROCK2 O75116 1/20 0.35
PRKG1 Q13976 1/20 0.35

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
SCHEMBL16269068 0.91 SCD (0.40) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL15972489 0.81 MAPK1 (0.40) LMNAEGLN1QDPR
SCHEMBL4766950 0.80 KDM4E (0.51) KDM4EMEN1KMT2A
SCHEMBL23211905 0.78 NOS3 (0.40) LMNACYP11B2SCD5SCDQDPR
SCHEMBL19520542 0.78 NOS3 (0.41) KDM4EALDH1A1KMT2AEGLN1QDPR
SCHEMBL21381864 0.78 HDAC4 (0.47) CYP11B2EGLN1
SCHEMBL23211882 0.78 ROCK2 (0.47) LMNAALDH1A1CYP11B2EGLN1QDPR
SCHEMBL14228280 0.78 KDM4E (0.38) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4615095 0.77 NPC1 (0.45) ALDH1A1SCD5QDPRBACE1
SCHEMBL30783142 0.76 TRPC6 (0.52) KDM4EKMT2AEGLN1QDPRBACE1

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 14 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
EP-1799223-A4 ARYLTHIOBENZYLPIPERIDINE DERIVATES LUNDBECK & CO AS H (DK) 2008-01-23 EP disclosed
WO-2007114902-A2 ALKYLTHIOBENZYLPIPERIDINE COMPOUNDS H.LUNDBECK A/S (DK) 2007-10-11 WO disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
EP-1804796-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.Lundbeck A/S (DK) 2007-07-11 EP disclosed
EP-1799223-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATES H.Lundbeck A/S (DK) 2007-06-27 EP disclosed
WO-2006041636-A2 AMINO SUBSTITUTED ARYLOXYBENZYLPIPERIDINE DERIVATIVES H.LUNDBECK A/S (DK) 2006-04-20 WO disclosed
WO-2006041635-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-04-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 LMNA 4173/4885KDM4E 1428/4885MEN1 1234/4885
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 LMNA 3924/4885KDM4E 550/4885MEN1 438/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 LMNA 4674/4885KDM4E 2306/4885MEN1 1496/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 LMNA 4674/4885KDM4E 2394/4885MEN1 1507/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R LMNA 4206/4885KDM4E 1464/4885MEN1 1144/4885

“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.