SCHEMBL5659035

SCHEMBL5659035

[CH2]COCCCc1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 2/20 0.37
CHEK1 O14757 1/20 0.36
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
MEN1 O00255 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NOS2 P35228 2/20 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
SCHEMBL14305744 0.85 KCNH2 (0.46) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14306289 0.83 KCNH2 (0.53) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL681576 0.83 KCNH2 (0.49) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14524676 0.82 KCNH2 (0.43) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4752742 0.82 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4750814 0.82 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL6194712 0.80 KCNH2 (0.47) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14279078 0.80 HRH3 (0.44) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14499024 0.78 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14498992 0.78 PPARG (0.39) KCNH2GABRA1GABRG2GABRB3GABRA5

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-20040063760-A1 Sodium channel modulatiors THERAVANCE BIOPHARMA R&D IP, LLC 2004-04-01 US claimed
US-20030065013-A1 Sodium channel modulators THERAVANCE BIOPHARMA R&D IP, LLC 2003-04-03 US claimed
WO-2002057215-A2 SODIUM CHANNEL MODULATORS THERAVANCE, INC. (US) 2002-07-25 WO claimed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-20060276467-A1 An aromatic-oxy-alkyleneamine derivative, useful for treating neuropathic pain THERAVANCE BIOPHARMA R&D IP, LLC 2006-12-07 US disclosed
US-7132422-B2 Sodium channel modulators THERAVANCE, INC. (US) 2006-11-07 US disclosed
US-20050130966-A1 Sodium channel modulators THERAVANCE BIOPHARMA R&D IP, LLC 2005-06-16 US disclosed
US-6872741-B2 Sodium channel modulators THERAVANCE, INC. (US) 2005-03-29 US disclosed
US-20040063760-A1 Sodium channel modulatiors THERAVANCE BIOPHARMA R&D IP, LLC 2004-04-01 US disclosed
US-6646012-B2 Central nervous system analgesic; hypotensive agents; antiarrhythmia agents; antidiabetic agents THERAVANCE, INC. 2003-11-11 US disclosed
US-20030065013-A1 Sodium channel modulators THERAVANCE BIOPHARMA R&D IP, LLC 2003-04-03 US disclosed
WO-2002057215-A2 SODIUM CHANNEL MODULATORS THERAVANCE, INC. (US) 2002-07-25 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 (4 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-20050130966-A1 Sodium channel modulators SCN10A, SCN5A, SCN1A KCNH2 83/4885GABRA1 456/4885GABRG2 445/4885
US-20060276467-A1 An aromatic-oxy-alkyleneamine derivative, useful for treating neuropathic pain TRPV1, TRPA1, OPRL1 KCNH2 50/4885GABRA1 729/4885GABRG2 684/4885
US-20040063760-A1 Sodium channel modulatiors SCN1A, SCN2A, SCN1B KCNH2 89/4885GABRA1 569/4885GABRG2 519/4885
US-20030065013-A1 Sodium channel modulators SCN10A, SCN5A, SCN1A KCNH2 83/4885GABRA1 456/4885GABRG2 445/4885

“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.