SCHEMBL6340799

SCHEMBL6340799

CCOC(=O)CCN1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.62
SLC18A3 Q16572 1/20 0.55
EBP Q15125 1/20 0.53
OPRL1 P41146 4/20 0.53
ADRA1A P35348 1/20 0.53
MCHR1 Q99705 1/20 0.53
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL9391019 0.88 SIGMAR1 (0.57) SIGMAR1SLC18A3OPRL1ADRA1AMCHR1
SCHEMBL6396038 0.87 SIGMAR1 (0.54) SIGMAR1SLC18A3OPRL1ALDH1A1TP53
SCHEMBL4977716 0.85 SIGMAR1 (0.57) SIGMAR1SLC18A3EBPOPRL1ADRA1A
SCHEMBL4977710 0.85 SIGMAR1 (0.57) SIGMAR1SLC18A3EBPOPRL1ADRA1A
SCHEMBL4978282 0.82 SIGMAR1 (0.67) SIGMAR1SLC18A3OPRL1ALDH1A1TP53
SCHEMBL4978278 0.82 SIGMAR1 (0.67) SIGMAR1SLC18A3OPRL1ALDH1A1TP53
Hydrochloric Acid SCHEMBL6395819 0.81 SIGMAR1 (0.67) SIGMAR1SLC18A3OPRL1ALDH1A1TP53
Hydrochloric Acid SCHEMBL6395234 0.80 SIGMAR1 (0.62) SIGMAR1SLC18A3OPRL1ALDH1A1TP53
SCHEMBL6396816 0.79 IDO1 (0.50) SIGMAR1OPRL1ALDH1A1TP53CYP1A2
SCHEMBL12199153 0.77 KCNH2 (0.59) SIGMAR1OPRL1ADRA1AMCHR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869960-B2 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. (US) 2005-03-22 US disclosed
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor ANDO KOJI (JP) 2005-02-17 US disclosed
EP-1470126-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-10-27 EP disclosed
EP-1399432-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-03-24 EP disclosed
US-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor ITO FUMITAKA (JP) 2003-08-21 US disclosed
WO-2003064425-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER JAPAN INC. (JP) 2003-08-07 WO disclosed
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor PFIZER INC. 2003-04-24 US disclosed
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. 2003-04-24 US disclosed
WO-2003000677-A1 SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER PHARMACEUTICALS INC. (JP) 2003-01-03 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 (4 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-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor OGFRL1, OXER1, ORMDL3 SIGMAR1 13/4885SLC18A3 2247/4885EBP 1755/4885
US-20030078278-A1 Spiropiperidine compounds as ligands for ORL-1 receptor OPRL1, OPRD1, OXER1 SIGMAR1 9/4885SLC18A3 3333/4885EBP 1902/4885
US-20030078279-A1 Spiropiperidine compounds as ligands for ORL-1receptor OPRL1, OPRD1, OXER1 SIGMAR1 13/4885SLC18A3 3251/4885EBP 1462/4885
US-20050038060-A1 Spiropoperidine compounds as ligands for orl-1 receptor OPRL1, OXER1, OGFRL1 SIGMAR1 11/4885SLC18A3 3518/4885EBP 2742/4885

“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.