SCHEMBL3198604

SCHEMBL3198604

COC(=O)C1(C)CCC2(CC1)OCCO2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 3/20 0.37
CYP3A4 P08684 1/20 0.37
FFAR3 O14843 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 6/20 0.34
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12462744 0.83 KMT2A (0.38) KMT2APOLBMEN1CYP3A4NPSR1
SCHEMBL25616531 0.82 FFAR3 (0.50) KMT2AMEN1CYP3A4FFAR3NPSR1
SCHEMBL25616533 0.82 FFAR3 (0.50) KMT2AMEN1CYP3A4FFAR3NPSR1
SCHEMBL8175853 0.82 FFAR3 (0.50) KMT2AMEN1CYP3A4FFAR3NPSR1
SCHEMBL283125 0.82
SCHEMBL15981229 0.80 FFAR3 (0.40) KMT2APOLBMEN1FFAR3ALDH1A1
SCHEMBL18806635 0.80 KMT2A (0.36) KMT2APOLBMEN1CYP3A4NPSR1
SCHEMBL2362462 0.80 KMT2A (0.36) KMT2APOLBMEN1CYP3A4NPSR1
SCHEMBL1700653 0.80 NPSR1 (0.34) KMT2APOLBMEN1CYP3A4NPSR1
SCHEMBL20813 0.79 ALDH1A1 (0.43) KMT2APOLBCYP3A4SMN1; SMN2ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 US disclosed
EP-3805223-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-04-14 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
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
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
EP-1976833-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-10-08 EP disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP disclosed
EP-1325910-B1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-17 EP 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-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 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
US-6849622-B2 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-02-01 US disclosed
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO., LTD. 2004-11-18 US disclosed
US-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2004-04-01 US disclosed
EP-1325910-A1 ALIPHATIC NITROGENOUS FIVE-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-07-09 EP disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP disclosed
US-4461902-A BLOOD LIPID AND SUGAR LOWERING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-07-24 US disclosed
EP-0084926-A1 Thiazolidine derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1983-08-03 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 (6 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-20040063935-A1 Aliphatic nitrogenous five-membered ring compounds H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SCN5A, CYP11B1 KMT2A 3485/4885POLB 3110/4885MEN1 1488/4885
US-20060241146-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 KMT2A 1249/4885POLB 3840/4885MEN1 2135/4885
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 KMT2A 1377/4885POLB 4084/4885MEN1 2246/4885
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 KMT2A 1796/4885POLB 48/4885MEN1 3273/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 KMT2A 1395/4885POLB 3820/4885MEN1 2354/4885
US-20040229926-A1 Aliphatic nitrogen - containing 5 - membered ring compound H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1, CYP11B2 KMT2A 2980/4885POLB 3067/4885MEN1 1452/4885

“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.