SCHEMBL5777524

SCHEMBL5777524

O=CC1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 5/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTT P42858 1/20 0.46
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
HDAC4 P56524 1/20 0.43
NAMPT P43490 1/20 0.43
HTR6 P50406 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
ACHE P22303 1/20 0.42
MC4R P32245 1/20 0.42

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
SCHEMBL8663386 0.83 SIGMAR1 (0.47) SIGMAR1DRD2DRD4DRD3ACHE
SCHEMBL8429503 0.81 KDM4E (0.64) SIGMAR1DRD2KDM4ESMN1; SMN2HTR1A
SCHEMBL8429501 0.81 KDM4E (0.64) SIGMAR1DRD2KDM4ESMN1; SMN2HTR1A
Hydrochloric Acid SCHEMBL8428831 0.80 KDM4E (0.66) DRD2KDM4ESMN1; SMN2HTR1AHTR2A
Hydrochloric Acid SCHEMBL8428835 0.80 KDM4E (0.66) DRD2KDM4ESMN1; SMN2HTR1AHTR2A
SCHEMBL8427010 0.77 KDM4E (0.62) SIGMAR1DRD2KDM4ESMN1; SMN2DRD4
SCHEMBL8427008 0.77 KDM4E (0.62) SIGMAR1DRD2KDM4ESMN1; SMN2DRD4
SCHEMBL5242533 0.77 SLC6A4 (0.53) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL28069755 0.76 SIGMAR1 (0.55) SIGMAR1DRD2HTR1AHTR2AHTT
SCHEMBL12798134 0.76 SIGMAR1 (0.55) SIGMAR1DRD2HTR1AHTR2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-8431590-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2013-04-30 US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 US disclosed
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2011-02-10 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
US-7723350-B2 Spiroindolines as modulators of chemokine receptors GLAXO GROUP LIMITED (GB) 2010-05-25 US disclosed
WO-2009061881-A1 SPIRODIHYDROBENZOFURANS AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 WO disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
US-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-25 US disclosed
WO-2008157741-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-24 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP 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 (3 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-20080318990-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 SIGMAR1 315/4885DRD2 227/4885KDM4E 4250/4885
US-20110034499-A1 SPIROINDOLINES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR10, CXCR2 SIGMAR1 315/4885DRD2 227/4885KDM4E 4250/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT SIGMAR1 734/4885DRD2 1630/4885KDM4E 4325/4885

“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.