SCHEMBL931968

SCHEMBL931968

CN(C)CCCC(O)c1c[nH]nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.36
HTR2A P28223 2/20 0.36
CTH P32929 1/20 0.32
CHRM2 P08172 3/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
SCN1A P35498 2/20 0.30
SCN2A Q99250 2/20 0.30
SCN3A Q9NY46 2/20 0.30
CHRM1 P11229 2/20 0.30
DRD1 P21728 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 2/20 0.30
HRH3 Q9Y5N1 2/20 0.30
LMNA P02545 1/20 0.30
CYP2D6 P10635 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HIF1A Q16665 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL5023599 0.79 ADRB2 (0.33) LMNA
SCHEMBL5015575 0.79
SCHEMBL5014121 0.74
SCHEMBL9823681 0.72
Methyl Alcohol SCHEMBL931967 0.69 NOS3 (0.39) HTR2ACTHSLC6A4HRH3HTR2C
SCHEMBL2644531 0.68 NOS3 (0.41) HTR2ACTHSLC6A4HRH3HTR2C
SCHEMBL2645752 0.68
SCHEMBL31234346 0.68
SCHEMBL16921699 0.67 CTH (0.38) CTHHRH3
SCHEMBL9670705 0.66 HTR2A (0.55) HRH1HTR2ACHRM2SLC6A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451286-B1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2018-02-28 EP disclosed
US-8993698-B2 4- and 5 substituted 1,2,3-triazole moieties with at least one remote polymerizable moiety and polymers thereof ISP INVESTMENTS INC. (US) 2015-03-31 US disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 US disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 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-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 HRH1 1270/4885HTR2A 1288/4885CTH 3502/4885

“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.