SCHEMBL6339113

SCHEMBL6339113

COc1cccc2cc(CN3CCC4(CC3)CN(C)c3ccccc34)c(=O)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.43
SIGMAR1 Q99720 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2D6 P10635 5/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
ADRA1B P35368 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
TNKS O95271 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
OPRL1 P41146 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SSTR5 P35346 1/20 0.37

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
SCHEMBL6339109 1.00 SLC18A3 (0.43) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL6340567 0.79 KDM4E (0.41) CYP2D6USP2TSHRHRH4OPRL1
SCHEMBL6660001 0.71 DRD2 (0.37) SIGMAR1CYP2D6USP2TSHRDRD2
SCHEMBL1980590 0.68 HDAC1 (0.68) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL6339128 0.68 KDM4E (0.51) TSHRHRH4KDM4E
SCHEMBL1688159 0.66 HDAC1 (0.66) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL6345975 0.65 SIGMAR1 (0.54) SIGMAR1CYP2D6TSHRDRD2
SCHEMBL15160319 0.64 HDAC1 (0.49) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL13519118 0.64 HDAC1 (0.57) SLC18A3SIGMAR1HDAC1HDAC8HDAC6
SCHEMBL13519235 0.64 HDAC1 (0.69) SLC18A3SIGMAR1HDAC1HDAC8HDAC6

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 SLC18A3 2247/4885SIGMAR1 13/4885HDAC1 585/4885

“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.