SCHEMBL5613764

SCHEMBL5613764

CCCCCN(C)CCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
S1PR5 Q9H228 1/20 0.42
DNM1 Q05193 3/20 0.42
GGPS1 O95749 4/20 0.39
FDPS P14324 1/20 0.39
AGTR1 P30556 1/20 0.39
OPRM1 P35372 1/20 0.39
PDE3A Q14432 1/20 0.39
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
KDM5C P41229 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PHF8 Q9UPP1 1/20 0.36

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
SCHEMBL11586877 0.98 TSHR (0.48) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL6400745 0.98 TSHR (0.48) TSHRS1PR2S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL5595409 0.96 DNM1 (0.48) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL13609722 0.93 TSHR (0.52) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL16892353 0.91 CHRM2 (0.42) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL11668526 0.83
SCHEMBL9797780 0.83 TSHR (0.43) TSHRALDH1A1HPGDCHRM2LCK
SCHEMBL6608458 0.83 ALDH1A1 (0.44) TSHRALDH1A1HPGDLCK
SCHEMBL4640467 0.80 TSHR (0.46) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL21077931 0.80 TSHR (0.48) TSHRS1PR2S1PR1S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO claimed
CN-106397479-A Preparation method of sodium ibandronate 安徽省润生医药股份有限公司 2017-02-15 CN claimed
CN-101279985-B Synthetic method of ibandronate SUZHOU HANDEPHARM TECHNOLOGY CO LTD 2012-09-05 CN claimed
CN-101279985-A Synthetic method of ibandronate SHENZHEN HANDEPHARM TECHNOLOGY (CN) 2008-10-08 CN claimed
US-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES INC. (CA) 2005-07-21 US claimed
WO-2025119782-A1 METHOD FOR THE MANUFACTURE OF NEW AMINE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed
CN-106397479-A Preparation method of sodium ibandronate 安徽省润生医药股份有限公司 2017-02-15 CN disclosed
EP-3061757-A1 REACTIVE IONIC LIQUIDS BASF SE (DE) 2016-08-31 EP disclosed
EP-2609101-B1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF PHARMATHEN SA (GR) 2015-01-28 EP disclosed
CN-101279985-B Synthetic method of ibandronate SUZHOU HANDEPHARM TECHNOLOGY CO LTD 2012-09-05 CN disclosed
CN-101279985-B Synthetic method of ibandronate SUZHOU HANDEPHARM TECHNOLOGY CO LTD 2012-09-05 CN disclosed
WO-2012007021-A1 PROCESS FOR THE PREPARATION OF 3-(N-METHYL-N-PENTYL)AMINO-1-HYDROXYPROPANE-1,1-DIPHOSPHONIC ACID SALT OR DERIVATIVES THEREOF PHARMATHEN S.A. (GR) 2012-01-19 WO disclosed
WO-2009093258-A2 A NEW AND IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM MONOHYDRATE FLEMING LABORATORIES LIMITED (IN) 2009-07-30 WO disclosed
CN-101279985-A Synthetic method of ibandronate SHENZHEN HANDEPHARM TECHNOLOGY (CN) 2008-10-08 CN disclosed
CN-101279985-A Synthetic method of ibandronate SHENZHEN HANDEPHARM TECHNOLOGY (CN) 2008-10-08 CN disclosed
WO-2007013097-A1 IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM NATCO PHARMA LIMITED (IN) 2007-02-01 WO disclosed
WO-2007013097-A1 IMPROVED PROCESS FOR THE PREPARATION OF IBANDRONATE SODIUM NATCO PHARMA LIMITED (IN) 2007-02-01 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 (1 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-20050159393-A1 Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents CHAMP1, PYCR1, PRMT5 TSHR 1907/4885S1PR2 1230/4885S1PR1 948/4885

“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.