SCHEMBL4744813

SCHEMBL4744813

C1CN(N2CCOCC2)CC[N]1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL236146 0.80 MGLL (0.47) MGLLCA12CA7CA14
SCHEMBL19878897 0.77
Hydrochloric Acid SCHEMBL28019904 0.77 MGLL (0.44) MGLLCA12CA7CA14
SCHEMBL42534 0.72 KDM4E (0.50) CA12
SCHEMBL41955 0.71
SCHEMBL2920270 0.71
SCHEMBL170249 0.71 TSHR (0.40) MGLLCA12CA7CA14
SCHEMBL6300105 0.71 TSHR (0.43) MGLLCA12CA7CA14
SCHEMBL2918371 0.69
SCHEMBL31348042 0.69 ALDH1A1 (0.44) MGLLCA12CA7CA14

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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US claimed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO claimed
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
US-20070299062-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US claimed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO claimed
EP-0107261-B1 (2-((NITROPYRIDINYL)AMINO)PHENYL)ARYLMETHANONES AND SALTS, THEIR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONES AND PYRIDO(1,4)BENZODIAZEPINES A.H. ROBINS COMPANY, INCORPORATED (US) 1988-09-21 EP claimed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
WO-2008098143-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 WO disclosed
WO-2008002575-A1 MELANIN CONCENTRATING HORMONE ANTAGONISTS THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed
US-20070299062-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2007-12-27 US disclosed
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed
US-5215967-A AMINOACID DERIVATIVES INHIBITING RENIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-06-01 US disclosed
EP-0107261-B1 (2-((NITROPYRIDINYL)AMINO)PHENYL)ARYLMETHANONES AND SALTS, THEIR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE PREPARATION OF (2-((AMINOPYRIDINYL)AMINO)PHENYL)ARYLMETHANONES AND PYRIDO(1,4)BENZODIAZEPINES A.H. ROBINS COMPANY, INCORPORATED (US) 1988-09-21 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 (2 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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 MGLL 565/4885ADRA2A 4322/4885ADRA2B 3714/4885
US-20070299062-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC4R MGLL 475/4885ADRA2A 161/4885ADRA2B 196/4885

“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.