SCHEMBL6400745

SCHEMBL6400745

CCCCCCCN(C)CCC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
DNM1 Q05193 3/20 0.46
S1PR2 O95136 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
CHRM2 P08172 1/20 0.39
GGPS1 O95749 4/20 0.39
ZDHHC20 Q5W0Z9 2/20 0.39
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
FDPS P14324 1/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM5C P41229 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 1.00 TSHR (0.48) TSHRDNM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL5595409 0.98 DNM1 (0.48) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL5613764 0.98 TSHR (0.50) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL13609722 0.91 TSHR (0.52) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL16892353 0.89 CHRM2 (0.42) TSHRS1PR2S1PR1S1PR3S1PR5
Water SCHEMBL9299486 0.83 DNM1 (0.63) TSHRDNM1S1PR2S1PR1S1PR3
Water SCHEMBL29199994 0.83 DNM1 (0.63) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL21077931 0.83 TSHR (0.48) TSHRDNM1S1PR2S1PR1S1PR3
SCHEMBL3456909 0.81 CHRM2 (0.46) TSHRS1PR2S1PR1S1PR3S1PR5
SCHEMBL9797780 0.81 TSHR (0.43) TSHRCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213999-C Aliphatic amino carboxylic and aminophosphonic acids, amino nitriles and amino tetrazoles as cell rescue agents UNIV OF SASKATCHEWAN TECHNOLOG (CA) 2005-08-10 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

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 1907/4885DNM1 1307/4885S1PR2 1230/4885

“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.