SCHEMBL21827062

SCHEMBL21827062

CCCCCCCCCCCCNC(=O)c1ccccc1C(=O)NCCCN(CCCC)CCCC

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.69
HTT P42858 1/20 0.69
NAAA Q02083 4/20 0.67
HPGD P15428 2/20 0.59
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
APP P05067 3/20 0.52
HCRTR1 O43613 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
Acrylic Acid SCHEMBL21827420 0.91 TSHR (0.57) TSHRHTTNAAAHPGDDRD2
SCHEMBL11078107 0.89 HTT (0.86) TSHRHTTNAAAHPGDALDH1A1
SCHEMBL11089468 0.89 HTT (0.86) TSHRHTTNAAAHPGDALDH1A1
SCHEMBL9260536 0.89 HTT (0.86) TSHRHTTNAAAHPGDALDH1A1
SCHEMBL5362359 0.89 HTT (0.86) TSHRHTTNAAAHPGDALDH1A1
Trolamine SCHEMBL8963359 0.88 HTT (0.60) TSHRHTTNAAAHPGDDRD2
Trolamine SCHEMBL9091920 0.88 HTT (0.60) TSHRHTTNAAAHPGDDRD2
Trolamine SCHEMBL9089511 0.88 HTT (0.60) TSHRHTTNAAAHPGDDRD2
SCHEMBL12704467 0.87 NAAA (0.74) TSHRHTTNAAAHPGDDRD2
SCHEMBL11267483 0.86 HPGD (0.68) TSHRHTTNAAAHPGDDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112639050-B Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2022-11-01 CN disclosed
EP-3864108-B1 UNSYMMETRICALLY SUBSTITUTED DICARBOXYLIC ACID DIAMIDO AMMONIUM SALTS AND THEIR USE FOR GAS HYDRATE ANTI-AGGLOMERATION CLARIANT INT LTD (CH) 2022-06-15 EP disclosed
US-11161804-B2 Unsymmetrically substituted dicarboxylic acid diamido ammonium salts and their use for gas hydrate anti-agglomeration CLARIANT INTERNATIONAL LTD. (CH) 2021-11-02 US disclosed
EP-3864108-A1 UNSYMMETRICALLY SUBSTITUTED DICARBOXYLIC ACID DIAMIDO AMMONIUM SALTS AND THEIR USE FOR GAS HYDRATE ANTI-AGGLOMERATION Clariant International Ltd (CH) 2021-08-18 EP disclosed
CN-112639050-A Asymmetrically substituted diamido ammonium dicarboxylic acid salts and their use for antiagglomerating gas hydrates 科莱恩国际有限公司 2021-04-09 CN disclosed
US-20200109107-A1 Unsymmetrically Substituted Dicarboxylic Acid Diamido Ammonium Salts And Their Use For Gas Hydrate Anti-Agglomeration CLARIANT INTERNATIONAL, LTD. (CH) 2020-04-09 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 (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-20200109107-A1 Unsymmetrically Substituted Dicarboxylic Acid Diamido Ammonium Salts And Their Use For Gas Hydrate Anti-Agglomeration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC9A5, NUP205 TSHR 3176/4885HTT 1370/4885NAAA 218/4885
US-11161804-B2 Unsymmetrically substituted dicarboxylic acid diamido ammonium salts and their use for gas hydrate anti-agglomeration H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC9A5, NUP205 TSHR 3162/4885HTT 1366/4885NAAA 210/4885

“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.