SCHEMBL6633233

SCHEMBL6633233

CNC(=O)N(Cc1ccccc1)C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 1/20 0.60
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 6/20 0.53
SLC6A3 Q01959 4/20 0.53
KCNH2 Q12809 2/20 0.51
HTR2A P28223 2/20 0.47
OPRM1 P35372 2/20 0.45
CTSD P07339 1/20 0.45
TACR1 P25103 3/20 0.43
AGER Q15109 3/20 0.43
MTNR1A P48039 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM3 P20309 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL19027674 0.90 OPRM1 (0.50) DCUN1D1OPRM1AGERMTNR1ACHRM2
SCHEMBL3811903 0.87 DCUN1D1 (0.58) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL21410210 0.85 DCUN1D1 (0.57) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16118655 0.85 HTR2A (0.59) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL2959297 0.85 DCUN1D1 (0.75) DCUN1D1
SCHEMBL619150 0.84 SLC6A2 (0.71) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL22797899 0.83 SLC6A2 (0.70) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16118653 0.83 DCUN1D1 (0.56) DCUN1D1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL19027677 0.82 OPRM1 (0.54) DCUN1D1OPRM1CHRM2CHRM3
SCHEMBL16118658 0.82 DCUN1D1 (0.55) DCUN1D1SLC6A2SLC6A4SLC6A3AGER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 DCUN1D1 3697/4885SLC6A2 2830/4885SLC6A4 1811/4885

“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.