SCHEMBL13290296

SCHEMBL13290296

C#CCOc1ccc(N2CCN(CCCC(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
GABRA1 P14867 1/20 0.49
GABRB2 P47870 1/20 0.49
HTR1A P08908 6/20 0.48
DRD2 P14416 5/20 0.48
HTR2A P28223 5/20 0.48
DRD3 P35462 4/20 0.48
TMEM97 Q5BJF2 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
HRH1 P35367 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
KCNH2 Q12809 1/20 0.45
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
HTR7 P34969 1/20 0.44
MAPT P10636 1/20 0.44
CACNA1G O43497 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
SCHEMBL2897375 0.91 HTR1A (0.49) HRH3GABRA1GABRB2HTR1ADRD2
SCHEMBL13290299 0.87 KMT2A (0.48) HRH3HTR1ADRD2HTR2AKMT2A
SCHEMBL2897377 0.83 KMT2A (0.48) HRH3HTR1ADRD2KMT2AMEN1
SCHEMBL2893008 0.82 KMT2A (0.53) HTR1ADRD2KMT2AMEN1THRA
SCHEMBL3161414 0.81 KMT2A (0.67) HTR1ADRD2HTR2ADRD3SIGMAR1
SCHEMBL13234973 0.80 HRH1 (0.58) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL15740778 0.80 THRA (0.69) HRH3HTR1ADRD2HTR2ADRD3
SCHEMBL17275243 0.79 MAPK1 (0.49) MAPT
SCHEMBL2883580 0.79 HRH1 (0.57) HRH3HTR1ADRD2HTR2ADRD3
Hydrochloric Acid SCHEMBL17275412 0.78 MAPK1 (0.48) MAPT

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
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 US disclosed
WO-2008019284-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 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-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTB4R2 HRH3 26/4885GABRA1 1593/4885GABRB2 1876/4885

“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.