SCHEMBL681576

SCHEMBL681576

CCCOCCCc1cccc(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
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
PPARG P37231 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CHEK1 O14757 1/20 0.38
GRM5 P41594 1/20 0.37
CCR1 P32246 1/20 0.35
CCR8 P51685 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL14306289 0.93 KCNH2 (0.53) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14524676 0.89 KCNH2 (0.43) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14305744 0.88 KCNH2 (0.46) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4752742 0.85 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4750814 0.85 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL5659035 0.83 KCNH2 (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14279078 0.83 HRH3 (0.44) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL681574 0.82 KCNH2 (0.64) KCNH2SMN1; SMN2GRM5CCR1CCR8
SCHEMBL14499024 0.81 PPARG (0.41) KCNH2GABRA1GABRG2GABRB3GABRA5
SCHEMBL14498992 0.81 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2013-05-16 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2011-03-03 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
US-20090269313-A1 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2009-10-29 US disclosed
WO-2009099582-A2 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE DIAKINE THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2008-12-04 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 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 (5 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-20130122050-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 KCNH2 4621/4885GABRA1 4498/4885GABRG2 4226/4885
US-20110052625-A1 COMPOSITIONS AND METHODS FOR TREATING DIABETES USING LISOFYLLINE ANALOGS AND ISLET NEOGENESIS ASSOCIATED PEPTIDE IAPP, LITAF, IGF2BP1 KCNH2 4617/4885GABRA1 3927/4885GABRG2 3359/4885
US-20090269313-A1 ENCAPSULATION SYSTEM GPR119, IAPP, LIPA KCNH2 2614/4885GABRA1 2620/4885GABRG2 4134/4885
US-20070037836-A1 Melanin concentrating hormone; obesity and related disorders, anxiety, or depression; trans-4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide MCHR1, MCHR2, MC4R KCNH2 3769/4885GABRA1 144/4885GABRG2 304/4885
US-20080300189-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING BETA-CELL MASS AND FUNCTION IAPP, PNLIP, AMY2A KCNH2 3706/4885GABRA1 1139/4885GABRG2 494/4885

“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.