SCHEMBL6340567

SCHEMBL6340567

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SSTR5 P35346 1/20 0.41
CYP2D6 P10635 9/20 0.40
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRL1 P41146 1/20 0.39
CCR8 P51685 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
C5AR1 P21730 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 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
SCHEMBL6339113 0.79 SLC18A3 (0.43) KDM4ESSTR5CYP2D6TSHRUSP2
SCHEMBL6339109 0.79 SLC18A3 (0.43) KDM4ESSTR5CYP2D6TSHRUSP2
SCHEMBL6339128 0.69 KDM4E (0.51) KDM4ETSHRALDH1A1HSD17B10LMNA
SCHEMBL6660001 0.65 DRD2 (0.37) KDM4ECYP2D6TSHRALDH1A1HSD17B10
SCHEMBL6170201 0.62 NPC1 (0.62) KDM4EMAPTHRH4MEN1KMT2A
SCHEMBL31422815 0.61 ADORA2A (0.51) KDM4ETSHRALDH1A1HSD17B10LMNA
SCHEMBL1534147 0.60 DAO (0.47) KDM4EALDH1A1LMNAMAPTHRH4
SCHEMBL4746065 0.60 RXFP1 (0.57) KDM4ETSHRALDH1A1HSD17B10LMNA
SCHEMBL4418073 0.60 CNR2 (0.44) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL6345975 0.60 SIGMAR1 (0.54) CYP2D6TSHRALDH1A1TP53CYP3A4

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 2 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-20030158219-A1 N-substituted spiropiperidine compounds as ligands for ORL-1 receptor ITO FUMITAKA (JP) 2003-08-21 US 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 KDM4E 4141/4885SSTR5 1566/4885CYP2D6 768/4885

“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.