SCHEMBL1703326

SCHEMBL1703326

CCC(CN)CC(C)CNCC(O)CNCC(C)CC(CC)CN

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL13234893 0.92 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL5961264 0.91
SCHEMBL14253414 0.89 ALDH1A1 (0.32) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL12575018 0.88 TSHR (0.35) ALDH1A1CYP3A4TSHRKDM4E
SCHEMBL18371739 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL12657358 0.82 ALDH1A1 (0.31) ALDH1A1CYP3A4TSHR
SCHEMBL12047862 0.81 ALDH1A1 (0.46) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL26229155 0.80 CA1 (0.39) KDM4E
SCHEMBL12677246 0.78 ALDH1A1 (0.35) ALDH1A1TDP1CYP3A4TSHRKDM4E
SCHEMBL26229153 0.77 CACNA2D1 (0.41) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895315-B2 Aliphatic amine polymer salts for tableting GENZYME CORPORATION (US) 2018-02-20 US disclosed
US-20160158275-A1 PHARMACEUTICAL COMPOSITIONS GENZYME CORPORATION 2016-06-09 US disclosed
US-20140322319-A1 PHARMACEUTICAL COMPOSITIONS GENZYME CORPORATION (US) 2014-10-30 US disclosed
US-8808738-B2 Aliphatic amine polymer salts for tableting GENZYME CORPORATION (US) 2014-08-19 US disclosed
US-20120219626-A1 Pharmaceutical Compositions of Sevelamer SYNTHON BV (NL) 2012-08-30 US disclosed
US-20120121704-A1 Aliphatic Amine Polymer Salts for Tableting GENZYME CORPORATION (US) 2012-05-17 US disclosed
US-20120101234-A1 PROCESS FOR THE PREPARATION OF SEVELAMER LABORATORIO CHIMICO INTERNAZIONALE S.P.A. (IT) 2012-04-26 US disclosed
US-20120088886-A1 PROCESSES FOR THE PREPARATION OF SEVELAMER CARBONATE Watson Pharma Private Limited (IN) 2012-04-12 US disclosed
US-7985418-B2 Aliphatic amine polymer salts for tableting GENZYME CORPORATION (US) 2011-07-26 US disclosed
US-7964182-B2 Pharmaceutical compositions comprising phosphate-binding polymer USV, Ltd (IN) 2011-06-21 US disclosed
US-20110081413-A1 Pharmaceutical Compositions Comprising Phosphate-Binding Polymer USV LIMITED (IN) 2011-04-07 US disclosed
US-20110064820-A1 Pharmaceutical Compositions Comprising Phosphate-Binding Polymer USV PRIVATE LIMITED (IN) 2011-03-17 US disclosed
US-20100331516-A1 Process for Preparation of Sevelamer Carbonate USV LTD. (IN) 2010-12-30 US disclosed
US-20090155368-A1 Pharmaceutical compositions GENZYME CORPORATION (US) 2009-06-18 US 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 (7 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-20160158275-A1 PHARMACEUTICAL COMPOSITIONS SRM, PHPT1, PTH1R ALDH1A1 2918/4885TDP1 508/4885CYP3A4 3944/4885
US-20120121704-A1 Aliphatic Amine Polymer Salts for Tableting ASS1, H1-5, H1-3 ALDH1A1 2493/4885TDP1 2876/4885CYP3A4 3657/4885
US-20140322319-A1 PHARMACEUTICAL COMPOSITIONS SRM, PHPT1, PTH1R ALDH1A1 2917/4885TDP1 504/4885CYP3A4 3943/4885
US-20110081413-A1 Pharmaceutical Compositions Comprising Phosphate-Binding Polymer SLC34A3, SLC34A1, SLC34A2 ALDH1A1 4734/4885TDP1 2611/4885CYP3A4 2277/4885
US-20110064820-A1 Pharmaceutical Compositions Comprising Phosphate-Binding Polymer SLC34A3, SLC34A1, SLC34A2 ALDH1A1 4734/4885TDP1 2611/4885CYP3A4 2277/4885
US-20120219626-A1 Pharmaceutical Compositions of Sevelamer SI, USP47, MGAM ALDH1A1 1132/4885TDP1 2047/4885CYP3A4 611/4885
US-20090155368-A1 Pharmaceutical compositions SRM, PHPT1, PTH1R ALDH1A1 2918/4885TDP1 508/4885CYP3A4 3944/4885

“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.