Sugi Predict

Sugi Predict / Compounds / SCHEMBL3812754

SCHEMBL3812754

SCHEMBL3812754

Cc1ccc(N)cc1C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ TP53 P04637 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.37

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
SCHEMBL15524740 0.88 OPRL1 (0.41) DRD4TP53MAPTNPC1NFKB1
SCHEMBL17048299 0.83 HTR1D (0.36) MAPTNPC1RAB9ASMN1; SMN2HTR1D
SCHEMBL3815448 0.82 MAPT (0.52) TP53MAPTNPC1HTTRAB9A
SCHEMBL3816206 0.82 RBP4 (0.39) NPC1RAB9AHTR1DHTR1BMEN1
SCHEMBL4771915 0.82 MEN1 (0.52) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17395599 0.80 SLC9A1 (0.38) MAPTNPC1RAB9ASMN1; SMN2HTR1D
SCHEMBL7985253 0.79 PARP10 (0.41) MAPTNPC1ALDH1A1RBP4CYP3A4
SCHEMBL31140149 0.79 PARP10 (0.41) MAPTNPC1ALDH1A1RBP4CYP3A4
SCHEMBL28094425 0.79 MEN1 (0.52) MAPTALDH1A1MEN1KMT2ATRPC6
SCHEMBL18031194 0.79 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1HPGDHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708704-A4 4-ARYL PIPERIDINES LUNDBECK & CO AS H (DK) 2009-08-05 — — EP disclosed
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
EP-1708704-A2 4-ARYL PIPERIDINES H.Lundbeck A/S (DK) 2006-10-11 — — 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
WO-2005069834-A2 4-ARYL PIPERIDINES H. LUNDBECK A/S (DK) 2005-08-04 — — WO disclosed
US-20050154022-A1 4-aryl piperidines H. LUNDBECK A/S 2005-07-14 — — US disclosed
US-20050154020-A1 4-Aryl piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 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 (7 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 DRD2 198/4885DRD4 169/4885DRD3 284/4885
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 DRD2 156/4885DRD4 129/4885DRD3 202/4885
US-20080139555-A1 Arylthiobenzylpiperidine Derivatives MCHR1, MC4R, MCHR2 DRD2 210/4885DRD4 167/4885DRD3 261/4885
US-20050154022-A1 4-aryl piperidines MCHR1, MCHR2, MC1R DRD2 81/4885DRD4 77/4885DRD3 116/4885
US-20060079683-A1 Arylthiobenzylpiperidine derivatives MCHR1, MC4R, MCHR2 DRD2 217/4885DRD4 167/4885DRD3 265/4885
US-20060079522-A1 Amino substituted aryloxybenzylpiperidine derivatives MCHR1, MCHR2, MC4R DRD2 192/4885DRD4 162/4885DRD3 268/4885
US-20050154020-A1 4-Aryl piperidines MCHR1, MCHR2, MC1R DRD2 81/4885DRD4 77/4885DRD3 116/4885

“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.