SCHEMBL2897375

SCHEMBL2897375

C#CCOc1ccc(N2CCN(CCC(=O)O)CC2)cc1.[NaH]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
HTR7 P34969 2/20 0.45
SOD1 P00441 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL13290296 0.91 HRH3 (0.50) HTR1AKMT2AMEN1MAPTTHRA
SCHEMBL2897377 0.86 KMT2A (0.48) HTR1AKMT2AMEN1MAPTRAB9A
SCHEMBL2893008 0.85 KMT2A (0.53) HTR1AKMT2AMEN1MAPTRAB9A
SCHEMBL13290299 0.81 KMT2A (0.48) HTR1AKMT2AMEN1MAPTHRH3
SCHEMBL17275243 0.80 MAPK1 (0.49) MAPTRAB9AITGB3ITGA2BPOLB
Hydrochloric Acid SCHEMBL17275412 0.79 MAPK1 (0.48) MAPTRAB9AITGB3ITGA2BPOLB
SCHEMBL2881745 0.79 HTR1A (0.60) HTR1AKMT2AMEN1MAPTRAB9A
SCHEMBL5011458 0.79 KMT2A (0.75) HTR1AKMT2AMEN1SOD1DRD2
SCHEMBL12041605 0.79 MAPT (0.56) HTR1AKMT2AMEN1MAPTRAB9A
SCHEMBL12041572 0.79 RAB9A (0.71) HTR1AKMT2AMAPTRAB9A

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 3 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-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 HTR1A 661/4885KMT2A 1166/4885MEN1 4867/4885

“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.