SCHEMBL991748

SCHEMBL991748

[NH]C12CC3CC(C1)CC(N)(C3)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
GRIN1 Q05586 7/20 0.50
GRIN2A Q12879 7/20 0.50
GRIN2D O15399 6/20 0.50
GRIN3B O60391 6/20 0.50
GRIN2B Q13224 6/20 0.50
GRIN2C Q14957 6/20 0.50
GRIN3A Q8TCU5 6/20 0.50
LMNA P02545 4/20 0.50
SLC22A1 O15245 2/20 0.50
NFKB1 P19838 2/20 0.50
SLC22A2 O15244 1/20 0.50
TSHR P16473 1/20 0.50
STAT6 P42226 1/20 0.50
SLC47A1 Q96FL8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
POLB P06746 2/20 0.48
THRB P10828 2/20 0.48
PMP22 Q01453 2/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL9914296 0.81 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL510762 0.81 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12132159 0.81 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL12130587 0.81 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL8720366 0.81 GRIN1 (0.65) PKMGRIN1GRIN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL1880961 0.78 LMNA (0.67) PKMGRIN1GRIN2AGRIN2DGRIN3B
Water SCHEMBL28015899 0.78 GRIN1 (0.61) PKMGRIN1GRIN2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL866896 0.78 LMNA (0.67) PKMGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL480287 0.74 GRIN2D (0.53) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1362423 0.74 PKM (0.56) PKMGRIN1GRIN2AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US claimed
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-05-24 US claimed
WO-2011140009-A1 METHODS OF USING SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2011-11-10 WO claimed
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP claimed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US claimed
EP-2238102-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS Lead Therapeutics, Inc. (US) 2010-10-13 EP claimed
US-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY LEAD THERAPEUTICS, INC. (US) 2010-08-26 US claimed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO claimed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO claimed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US claimed
US-20080214444-A1 SEMI-SYNTHETIC REARRANGED VANCOMYCIN/DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 US claimed
EP-1868630-A2 SEMI-SYNTHETIC DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY Novartis Vaccines and Diagnostics, Inc. (US) 2007-12-26 EP claimed
EP-1861115-A2 SEMI-SYNTHETIC GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY Novartis Vaccines and Diagnostics, Inc. (US) 2007-12-05 EP claimed
EP-1858908-A2 SEMI-SYNTHETIC REARRANGED VANCOMYCIN/DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY Novartis Vaccines and Diagnostics, Inc. (US) 2007-11-28 EP claimed
US-20070185015-A1 Semi-synthetic desmethyl-vancomycin-based glycopeptides with antibiotic activity Chiron Corporation and North China Pharmaceutical Corporation 2007-08-09 US claimed
US-20070021328-A1 Semi-synthetic rearranged vancomycin/desmethyl-vancomycin-based glycopeptides with antibiotic activity CHIRON CORPORATION 2007-01-25 US claimed
US-20060276623-A1 Semi-synthetic glycopeptides with antibiotic activity CHIRON CORPORATION 2006-12-07 US claimed
WO-2006093933-A2 SEMI-SYNTHETIC REARRANGED VANCOMYCIN/DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-09-08 WO claimed
WO-2006093947-A2 SEMI-SYNTHETIC GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-09-08 WO claimed
WO-2006094082-A2 SEMI-SYNTHETIC DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-09-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20100216699-A1 SEMI-SYNTHETIC GLYCOPEPTIDES HAVING ANTIBACTERIAL ACTIVITY ASNS, ALG1, ALG8 PKM 3239/4885GRIN1 1235/4885GRIN2A 1097/4885
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 PKM 3059/4885GRIN1 1036/4885GRIN2A 1046/4885
US-20070185015-A1 Semi-synthetic desmethyl-vancomycin-based glycopeptides with antibiotic activity AADAC, DNPEP, STT3A PKM 1558/4885GRIN1 1470/4885GRIN2A 1900/4885
US-20060276623-A1 Semi-synthetic glycopeptides with antibiotic activity FUT6, AAAS, O60361 PKM 994/4885GRIN1 1674/4885GRIN2A 1736/4885
US-20070021328-A1 Semi-synthetic rearranged vancomycin/desmethyl-vancomycin-based glycopeptides with antibiotic activity DNPEP, ASNS, SI PKM 1432/4885GRIN1 1222/4885GRIN2A 1728/4885
US-20120129763-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, SI, DNPEP PKM 1564/4885GRIN1 1160/4885GRIN2A 1868/4885
US-20080214444-A1 SEMI-SYNTHETIC REARRANGED VANCOMYCIN/DESMETHYL-VANCOMYCIN-BASED GLYCOPEPTIDES WITH ANTIBIOTIC ACTIVITY DNPEP, ASNS, SI PKM 1432/4885GRIN1 1222/4885GRIN2A 1728/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 PKM 2848/4885GRIN1 1326/4885GRIN2A 1251/4885
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 PKM 2450/4885GRIN1 1174/4885GRIN2A 1713/4885

“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.