SCHEMBL6629807

SCHEMBL6629807

CNC(=O)N(c1ccccc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.48
SLC6A2 P23975 7/20 0.48
SLC6A3 Q01959 6/20 0.48
KCNH2 Q12809 3/20 0.47
CYP2D6 P10635 2/20 0.47
TRPM8 Q7Z2W7 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL19027675 0.84 KDM4E (0.59) KCNH2TRPM8MEN1KMT2AKDM4E
SCHEMBL14141312 0.84 KCNH2 (0.53) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6160138 0.83 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL8553350 0.82 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL28768033 0.82 OPRM1 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6630919 0.82 LMNA (0.47) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL22797859 0.81 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
Hydrochloric Acid SCHEMBL9785752 0.80 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL6621005 0.80 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3KCNH2CYP2D6
SCHEMBL926462 0.79 OPRM1 (0.61) SLC6A4SLC6A2SLC6A3KCNH2MEN1

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-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
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 SLC6A4 1811/4885SLC6A2 2830/4885SLC6A3 2795/4885

“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.