SCHEMBL3272375

SCHEMBL3272375

CC(CCO)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL2411752 0.98 SMN1; SMN2 (0.34) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL25365456 0.86 ALDH1A1 (0.33) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL27695746 0.84 ALDH1A1 (0.33) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL9801558 0.84 SMN1; SMN2 (0.33) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL21540021 0.81 CYP3A4 (0.38) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL23869469 0.81 CYP3A4 (0.38) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL20072726 0.81 CYP3A4 (0.34) MAPTALDH1A1POLBSMN1; SMN2TDP1
SCHEMBL10233819 0.81 IDO1 (0.37) CYP2D6SLC6A3KDM4EMEN1KMT2A
SCHEMBL4260116 0.79 CHRM5 (0.35) SMN1; SMN2CYP2D6SLC6A2SLC6A3MEN1
SCHEMBL3094796 0.79 KMT2A (0.46) MAPTALDH1A1SMN1; SMN2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101076617-A Electrochemical deposition of tantalum and/or copper in ionic liquids MERCK PATENT GMBH (DE) 2007-11-21 CN claimed
US-4483833-A DESULFURIZATION EXXON RESEARCH & ENGINEERING CO. (US) 1984-11-20 US claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
US-20110202328-A1 System for the determination of selective absorbent molecules through predictive correlations EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2011-08-18 US disclosed
EP-1747210-B1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER LAMBERT CO (US) 2010-06-30 EP disclosed
US-20090242414-A1 ELECTRONCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2009-10-01 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
US-7456164-B2 Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable PFIZER, INC (US) 2008-11-25 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US disclosed
WO-2005108384-A1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER-LAMBERT COMPANY LLC (US) 2005-11-17 WO disclosed
EP-1593679-A1 3- Or 4-monosubstituted phenol derivatives useful as H3 ligands Warner-Lambert Company LLC (US) 2005-11-09 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-1993010883-A1 LEAN ACID GAS ENRICHMENT WITH SELECTIVE HINDERED AMINES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1993-06-10 WO disclosed
EP-0087207-B1 A PROCESS FOR REMOVAL OF H2S FROM GASEOUS STREAMS WITH AMINO COMPOUNDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1986-08-06 EP disclosed
US-4483833-A DESULFURIZATION EXXON RESEARCH & ENGINEERING CO. (US) 1984-11-20 US disclosed
EP-0087207-A1 A process for removal of H2S from gaseous streams with amino compounds EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-08-31 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 (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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885ALDH1A1 1717/4885POLB 3042/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885ALDH1A1 1717/4885POLB 3042/4885
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 MAPT 2226/4885ALDH1A1 832/4885POLB 2640/4885

“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.