SCHEMBL6339199

SCHEMBL6339199

CC(C(=O)O)N1CCC2(CCc3ccccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.64
TDO2 P48775 1/20 0.64
SIGMAR1 Q99720 12/20 0.51
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
RBP4 P02753 1/20 0.50
OPRL1 P41146 3/20 0.49
SLC18A3 Q16572 2/20 0.48
OPRK1 P41145 1/20 0.47
OPRM1 P35372 1/20 0.46
KCNH2 Q12809 1/20 0.46
HSD11B1 P28845 1/20 0.46

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
SCHEMBL13664908 0.85 SIGMAR1 (0.56) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL4061440 0.83 IDO1 (0.58) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL9479601 0.80 CYP2D6 (0.54) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL14112074 0.80 SIGMAR1 (0.50) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL1223501 0.78 RBP4 (0.62) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL3719812 0.77 KDM4E (0.54) ALDH1A1TSHRKCNH2
SCHEMBL6169664 0.77 SIGMAR1 (0.56) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL14986259 0.77 SIGMAR1 (0.58) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL14379213 0.76 SIGMAR1 (0.45) IDO1TDO2SIGMAR1ALDH1A1TP53
SCHEMBL14379218 0.76 SIGMAR1 (0.45) IDO1TDO2SIGMAR1ALDH1A1TP53

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
US-6869960-B2 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor PFIZER INC. (US) 2005-03-22 US disclosed
EP-1470126-A1 N-SUBSTITUTED SPIROPIPERIDINE COMPOUNDS AS LIGANDS FOR ORL-1 RECEPTOR PFIZER INC. (US) 2004-10-27 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

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-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor OGFRL1, OXER1, ORMDL3 IDO1 3672/4885TDO2 4180/4885SIGMAR1 13/4885

“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.