SCHEMBL605683

SCHEMBL605683

COCC1(NC(=O)OCc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
YAP1 P46937 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TACR1 P25103 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
BACE1 P56817 1/20 0.45
STS P08842 1/20 0.44
P2RX7 Q99572 6/20 0.44
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL30732662 0.94 MEN1 (0.42) MEN1KMT2AYAP1HTTNPC1
SCHEMBL607180 0.90 MEN1 (0.46) MEN1KMT2AYAP1HTTTACR1
SCHEMBL607947 0.89 TACR1 (0.47) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL17609000 0.89 OPRD1 (0.47) MEN1KMT2AYAP1NPC1RAB9A
SCHEMBL2793178 0.89 OPRD1 (0.47) MEN1KMT2AYAP1HTTTACR1
SCHEMBL6083618 0.89 EGLN2 (0.50) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL16825735 0.88 MEN1 (0.45) MEN1KMT2AYAP1HTTTACR1
SCHEMBL16825914 0.87 OPRD1 (0.45) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL24940830 0.86 MEN1 (0.43) MEN1KMT2AYAP1TACR1OPRD1
SCHEMBL17608882 0.86 P2RX7 (0.44) MEN1KMT2AYAP1TACR1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
EP-2231687-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES Sun Pharma Advanced Research Company Limited (IN) 2010-09-29 EP disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 WO disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 WO disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
US-7332487-B2 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2008-02-19 US disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
US-20060241146-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2006-10-26 US disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 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 (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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 MEN1 4323/4885KMT2A 2717/4885YAP1 1009/4885
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 MEN1 2135/4885KMT2A 1249/4885YAP1 177/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 MEN1 2246/4885KMT2A 1377/4885YAP1 351/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 MEN1 2354/4885KMT2A 1395/4885YAP1 261/4885

“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.