SCHEMBL3155490

SCHEMBL3155490

CC(=O)OCC(CCN)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
CYP1A2 P05177 3/20 0.35
GABRR1 P24046 3/20 0.35
GRM8 O00222 1/20 0.35
GRM6 O15303 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
Acetic Acid SCHEMBL8369041 0.85 GABRR1 (0.40) GABRR1LMNATSHRKMT2AGABBR2
SCHEMBL13175310 0.85 TDP1 (0.41) GABRR1LMNATSHRKMT2AGABBR2
SCHEMBL9823979 0.84 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6916433 0.82 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3153656 0.82 TDP1 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3328215 0.79 TDP1 (0.37) GABRR1LMNATSHRKMT2ATDP1
SCHEMBL6048479 0.78 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Cadaverine Tartrate SCHEMBL29546907 0.76 TET2 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4541642 0.76 ENPEP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11798905 0.75 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137592-A1 PROCESS FOR PREPARING PURINE DERIVATIVE AUROBINDO PHARMA LTD (IN) 2010-06-03 US disclosed
EP-2170840-A1 AN IMPROVED PROCESS FOR PREPARING PURINE DERIVATIVE Aurobindo Pharma Ltd (IN) 2010-04-07 EP disclosed
EP-1636231-B1 METHODS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE USING A COMPOUND OF 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES KYUNGDONG PHARM CO LTD (KR) 2010-03-24 EP disclosed
EP-1551839-B1 PROCESS FOR PREPARING 9-¬4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL -2-AMINOPURINE KYUNGDONG PHARM CO LTD (KR) 2010-02-17 EP disclosed
WO-2008155613-A1 AN IMPROVED PROCESS FOR PREPARING PURINE DERIVATIVE AUROBINDO PHARMA LTD (IN) 2008-12-24 WO disclosed
US-7456282-B2 2-amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2008-11-25 US disclosed
WO-2008072074-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURINE DERIVATIVE AUROBINDO PHARMA LIMITED (IN) 2008-06-19 WO disclosed
US-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same KYUNGDONG PHARM. CO., LTD. (KR) 2006-11-16 US disclosed
US-7041823-B2 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine KYUNGDONG PHARM. CO., LTD. (KR) 2006-05-09 US disclosed
EP-1636231-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9- 4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME Kyungdong Pharm. Co., Ltd. (KR) 2006-03-22 EP disclosed
US-20050222413-A1 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine KYUNGDONG PHARM CO., LTD. (KR) 2005-10-06 US disclosed
EP-1551839-A1 PROCESS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE Kyungdong Pharm. Co., Ltd. (KR) 2005-07-13 EP disclosed
WO-2004110343-A2 2-AMINO-9-(2-SUBSTITUTED ETHYL)PURINES AND PREPARING METHODS FOR 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]- 2- AMINOPURINE USING THE SAME KYUNGDONG PHARM. CO., LTD. (KR) 2004-12-23 WO disclosed
WO-2004007497-A1 PROCESS FOR PREPARING 9-[4-ACETOXY-3-(ACETOXYMETHYL)BUT-1-YL]-2-AMINOPURINE KYUNGDONG PHARM. CO., LTD. (KR) 2004-01-22 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 (3 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-20060258862-A1 2-Amino-9-(2-substituted ethyl)purines and preparing methods for 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine using the same TYMP, TPMT, PNP GABRP 2796/4885GABRD 3373/4885GABRA1 2811/4885
US-20100137592-A1 PROCESS FOR PREPARING PURINE DERIVATIVE TYMP, PNP, UMPS GABRP 2636/4885GABRD 3445/4885GABRA1 3703/4885
US-20050222413-A1 Process for preparing 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine TPMT, TYMP, MTAP GABRP 1742/4885GABRD 2162/4885GABRA1 1039/4885

“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.