SCHEMBL19683148

SCHEMBL19683148

CCCCC(C)(C)CCCCc1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.52
MAOB P27338 2/20 0.50
TNNC1 P63316 5/20 0.46
S1PR1 P21453 2/20 0.46
SGPL1 O95470 1/20 0.46
S1PR4 O95977 1/20 0.46
GPR183 P32249 1/20 0.46
CERS2 Q96G23 1/20 0.46
S1PR3 Q99500 1/20 0.46
S1PR5 Q9H228 1/20 0.46
GFER P55789 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL18387848 0.87 MAOB (0.47) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL109256 0.82 HTR2A (0.72) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL13526966 0.81 MAOB (0.57) HTR2AMAOBTNNC1S1PR1SGPL1
Undecane SCHEMBL22346217 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL23754735 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL23754742 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
Pentadecane SCHEMBL22346204 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL22346501 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL22346194 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1
SCHEMBL22346250 0.81 HTR2A (0.76) HTR2AMAOBTNNC1S1PR1SGPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2017-12-07 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 (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-20170349621-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PROKR1, ARG1, ARG2 HTR2A 2234/4885MAOB 1841/4885TNNC1 1319/4885

“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.