SCHEMBL5563304

SCHEMBL5563304

CN(C)CCNC(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2C P28335 1/20 0.43
POLR1A O95602 2/20 0.43
RPS6KA2 Q15349 1/20 0.43
RAD52 P43351 2/20 0.42
ADRB1 P08588 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL5666316 0.86 TSHR (0.48) ALDH1A1HTTDRD2DRD4HTR2C
SCHEMBL5563018 0.84 MAPK1 (0.51) ALDH1A1KDM4EHSD17B10SMN1; SMN2DRD2
SCHEMBL9283305 0.83 OPRD1 (0.50) DRD2DRD4HTR2CADRB1BACE1
SCHEMBL20521486 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10CYP1A2HTT
SCHEMBL15545669 0.79 HTR6 (0.44) ADRB1BACE1
SCHEMBL1742847 0.78 ADRB1 (0.51) HSD17B10CYP1A2DRD2ADRB1BACE1
SCHEMBL5564533 0.77 BACE1 (0.44) HSD17B10CYP1A2ADRB1BACE1
SCHEMBL8623037 0.77 BACE1 (0.51) ALDH1A1KDM4EHSD17B10CYP1A2DRD2
SCHEMBL29115488 0.76 HTT (0.46) ALDH1A1KDM4EHSD17B10CYP1A2HTT
SCHEMBL4507584 0.76 ADRB1 (0.51) ALDH1A1KDM4EHSD17B10CYP1A2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 EP disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 US disclosed
EP-1603912-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Santhera Pharmaceuticals (Schweiz) GmbH (CH) 2005-12-14 EP disclosed
WO-2004083209-A1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2004-09-30 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 (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-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R ALDH1A1 2415/4885KDM4E 165/4885HSD17B10 2858/4885

“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.