SCHEMBL945818

SCHEMBL945818

CC(C)N(CCN1CCNCC1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
CXCR4 P61073 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 5/20 0.37
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RAD52 P43351 1/20 0.34
RECQL P46063 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33

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
SCHEMBL27663410 0.86 CXCR4 (0.47) SMN1; SMN2POLBCXCR4ALDH1A1CHRM5
SCHEMBL20328760 0.82 ALDH1A1 (0.41) SMN1; SMN2POLBCXCR4ALDH1A1MAPT
SCHEMBL12790350 0.80 MEN1 (0.44) MAPTSIGMAR1MEN1KMT2A
SCHEMBL13397441 0.80 MEN1 (0.44) POLBSIGMAR1MEN1KMT2A
SCHEMBL11813843 0.80 CHRM5 (0.40) SMN1; SMN2POLBCXCR4ALDH1A1MAPT
SCHEMBL12790351 0.78 MEN1 (0.42) POLBALDH1A1MAPTSIGMAR1MEN1
SCHEMBL26350015 0.78 CHRM5 (0.40) SMN1; SMN2POLBCXCR4CHRM5CHRM3
SCHEMBL12359045 0.78 MEN1 (0.37) ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL20328771 0.76 CXCR4 (0.46) SMN1; SMN2POLBCXCR4ALDH1A1MAPT
SCHEMBL1363520 0.76 CHRM5 (0.37) SMN1; SMN2POLBCXCR4ALDH1A1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109575045-A Thienopyrimidines, preparation method, Pharmaceutical composition and its application 南京红云生物科技有限公司 2019-04-05 CN claimed
CN-109180677-A Substituted aryl ethers compounds, preparation method, Pharmaceutical composition and its application 厦门大学 2019-01-11 CN claimed
CN-103254944-B A kind of method of Dresel fuel compositions and raising oxidation stability of biodiesel SINOPEC CORP. (CN) 2015-10-28 CN claimed
CN-103254945-B A kind of method of Dresel fuel compositions and raising oxidation stability of biodiesel SINOPEC CORP. (CN) 2015-08-26 CN claimed
CN-103254951-B Additive composition, diesel oil composition, and method for increasing oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2015-03-18 CN claimed
CN-103254950-B Additive composition, diesel oil composition, and method for increasing oxidation stability of biodiesel CHINA PETROLEUM & CHEMICAL 2015-02-25 CN claimed
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
US-20100233264-A1 TEMPERATURE AND pH-SENSITIVE BLOCK COPOLYMER HAVING EXCELLENT SAFTY IN VIVO AND HYDROGEL AND DRUG DELIVERY SYSTEM USING THEREOF SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2010-09-16 US claimed
WO-2009031861-A2 TEMPERATURE AND PH-SENSITIVE BLOCK COPOLYMER HAVING EXCELLENT SAFETY IN VIVO AND HYDROGEL AND DRUG DELIVERY SYSTEM USING THEREOF SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) 2009-03-12 WO claimed
CN-116813493-A Lipid compound, lipid carrier based on lipid compound, nucleic acid lipid nanoparticle composition and pharmaceutical preparation 苏州科锐迈德生物医药科技有限公司 2023-09-29 CN disclosed
WO-2023179497-A1 LIPID COMPOUND, LIPID CARRIER BASED ON LIPID COMPOUND, NUCLEIC ACID LIPID NANOPARTICLE COMPOSITION AND PHARMACEUTICAL FORMULATION 苏州科锐迈德生物医药科技有限公司 2023-09-28 WO disclosed
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2022-09-29 US disclosed
US-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF TRUSTEES OF TUFTS COLLEGE 2020-11-26 US disclosed
US-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME OZCHELA INC (KR) 2019-08-22 US disclosed
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions 4 AZA BIOSCIENCE NV (BE) 2007-02-08 US disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
EP-1673092-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA Bioscience nv (BE) 2006-06-28 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 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 (5 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-20190255009-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME HPN, P4HB, FKBP1B SMN1; SMN2 1141/4885POLB 2155/4885CXCR4 4606/4885
US-20100233264-A1 TEMPERATURE AND pH-SENSITIVE BLOCK COPOLYMER HAVING EXCELLENT SAFTY IN VIVO AND HYDROGEL AND DRUG DELIVERY SYSTEM USING THEREOF CD44, PSAT1, ALAD SMN1; SMN2 1925/4885POLB 1173/4885CXCR4 4385/4885
US-20200368254-A1 LIPID-LIKE NANOCOMPLEXES AND USES THEREOF APOB, LDLR, LIPA SMN1; SMN2 2996/4885POLB 397/4885CXCR4 934/4885
US-20220306603-A1 TARGETING DNA REPAIR IN TUMOR CELLS VIA INHIBITION OF ERCC1-XPF ERCC4, ERCC1, ERCC2 SMN1; SMN2 2606/4885POLB 815/4885CXCR4 2043/4885
US-20070032477-A1 Pteridine derivatives useful for making pharmaceutical compositions TPMT, TYMS, TNF SMN1; SMN2 1061/4885POLB 430/4885CXCR4 1252/4885

“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.