SCHEMBL4765095

SCHEMBL4765095

CC(C)OC(=O)Nc1cccc(C2CCNCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALOX15 P16050 1/20 0.54
HTR2C P28335 4/20 0.47
KDM4E B2RXH2 1/20 0.46
PRKCI P41743 1/20 0.44
DRD2 P14416 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL5324244 0.87 HTR2C (0.55) HTR2CPRKCIMAPK1
SCHEMBL4791557 0.83 DRD2 (0.54) HTR2CDRD2
SCHEMBL3529993 0.82 HTR2C (0.47) HTR2C
SCHEMBL4098389 0.81 HTR2C (0.54) HTR2CDRD2CYP1A2
Hydrochloric Acid SCHEMBL3337152 0.80 HTR2C (0.55) HTR2CDRD2CYP1A2
SCHEMBL10156376 0.79 RAB9A (0.58) HPGDKDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL3556953 0.78 POLB (0.52) HTR2CDRD2CYP2C19MEN1KMT2A
SCHEMBL5658730 0.78 GAA (0.54) HPGDHTR2CSMN1; SMN2MEN1MAPT
SCHEMBL5998876 0.77 MGLL (0.58)
SCHEMBL4765157 0.77 DRD2 (0.54) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590326-A4 SUBSTITUTED ALKYL AMIDO PIPERIDINES LUNDBECK & CO AS H (DK) 2008-04-30 EP disclosed
US-7199135-B2 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2007-04-03 US disclosed
US-20060217418-A1 Substituted alkyl amido piperidines H. LUNDBECK A/S (DK) 2006-09-28 US disclosed
US-20060084649-A9 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2006-04-20 US disclosed
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed
EP-1590326-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. Lundbeck A/S (DK) 2005-11-02 EP disclosed
US-20040186103-A1 Substituted alkyl amido piperidines SYNAPTIC PHARMACEUTICAL CORPORATION 2004-09-23 US disclosed
WO-2004064764-A2 SUBSTITUTED ALKYL AMIDO PIPERIDINES H. LUNDBECK A/S (DK) 2004-08-05 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 (3 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-20060084649-A9 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HPGD 2533/4885ALOX15 1291/4885HTR2C 32/4885
US-20060217418-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HPGD 2533/4885ALOX15 1291/4885HTR2C 32/4885
US-20040186103-A1 Substituted alkyl amido piperidines MCHR1, MCHR2, MC1R HPGD 2533/4885ALOX15 1291/4885HTR2C 32/4885

“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.