SCHEMBL5578540

SCHEMBL5578540

CCCCN1CCC2(CC1)CN(C(=O)c1ccc(OC)cc1)c1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
NQO2 P16083 1/20 0.41
PTGER2 P43116 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LTB4R Q15722 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ACHE P22303 1/20 0.41
CYP2D6 P10635 2/20 0.41
MAPK1 P28482 1/20 0.41
USP2 O75604 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5578451 0.87 KCNH2 (0.46) SLC18A3SIGMAR1MMP9MMP13CYP2D6
SCHEMBL5578593 0.86 KDM2B (0.48) DRD2HTR2AHTR2C
SCHEMBL5578902 0.86 NQO2 (0.41) NQO2PTGER2PDE3BPDE3ALTB4R
SCHEMBL5578886 0.85 SLC18A3 (0.45) SLC18A3SIGMAR1
SCHEMBL5578809 0.83 KMT2A (0.55) CYP2D6USP2
SCHEMBL5578719 0.82 MMP1 (0.49) MMP9MMP13CYP2D6USP2CYP1A2
SCHEMBL4761770 0.80 EPHX2 (0.43) DRD2
SCHEMBL5578618 0.79 SIGMAR1 (0.46) SLC18A3SIGMAR1DRD2
SCHEMBL12084340 0.79 CHRM2 (0.48)
SCHEMBL5579355 0.79 ALDH1A1 (0.41) SLC18A3SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070032640-A1 Cytokine receptor LUDWIG INSTITUE FOR CANCER RESEARCH (AU) 2007-02-08 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 (2 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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL SLC18A3 2869/4885SIGMAR1 444/4885DRD2 126/4885
US-20070032640-A1 Cytokine receptor IL6ST, IL6, IL1RN SLC18A3 4264/4885SIGMAR1 523/4885DRD2 3603/4885

“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.