SCHEMBL660573

SCHEMBL660573

[CH2]Cc1cccc(CC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.43
HRH4 Q9H3N8 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
CXCR4 P61073 2/20 0.41
PARP1 P09874 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33

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
SCHEMBL45869 0.87 KCNH2 (0.52) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL11564452 0.85 KCNH2 (0.50) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL7666594 0.76
SCHEMBL1515200 0.76
SCHEMBL4046726 0.76 KCNH2 (0.48) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL5104176 0.76 CCR1 (0.44) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL15223507 0.76 KCNH2 (0.43) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL12242755 0.76 KCNH2 (0.43) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL7685870 0.76 KCNH2 (0.59) KCNH2HRH4GRIN2DGRIN3BGRIN1
SCHEMBL2096973 0.76 KCNH2 (0.43) KCNH2HRH4GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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 (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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA KCNH2 507/4885HRH4 834/4885GRIN2D 677/4885
US-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD KCNH2 1897/4885HRH4 607/4885GRIN2D 2633/4885

“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.