SCHEMBL2062575

SCHEMBL2062575

OCCN(CCO)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.56
FFAR1 O14842 2/20 0.53
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACHE P22303 1/20 0.48
NPY5R Q15761 1/20 0.48
SRD5A2 P31213 2/20 0.46
FFAR4 Q5NUL3 1/20 0.45
FNTA P49354 2/20 0.45
PGGT1B P53609 2/20 0.45
OPRK1 P41145 1/20 0.45
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42

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
SCHEMBL9999268 0.92 TSHR (0.63) LTA4HTSHRHSD17B10ACHEOPRK1
SCHEMBL6567560 0.83 OPRK1 (0.60) OPRK1
SCHEMBL16755611 0.81 LTA4H (0.69) LTA4HFFAR1TSHRSRD5A2FFAR4
Water SCHEMBL8160723 0.81 OPRK1 (0.58) OPRK1
SCHEMBL1082295 0.81 LTA4H (0.69) LTA4HFFAR1TSHRSRD5A2FFAR4
SCHEMBL9999325 0.80 OPRK1 (0.49) FFAR1TSHROPRK1MMP12MMP13
Hydrochloric Acid SCHEMBL8692144 0.80 LTA4H (0.67) LTA4HFFAR1TSHRSRD5A2FFAR4
SCHEMBL2062580 0.79 LTA4H (0.51) LTA4HFFAR1ACHENPY5RSRD5A2
SCHEMBL6567515 0.79 AOC3 (0.58)
Diphenylether SCHEMBL28328603 0.79 TSHR (0.50) LTA4HFFAR1TSHRHSD17B10MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076333-B2 Fast acting naratriptan composition EMISPHERE TECHNOLOGIES INC. (US) 2011-12-13 US claimed
EP-2888224-B1 PHENOXY ALKYL DIETHANOLAMINE AND DIISOPROPANOLAMINE COMPOUNDS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2017-11-15 EP disclosed
US-8148578-B2 Fast acting naratriptan composition EMISPHERE TECHNOLOGIES INC. (US) 2012-04-03 US disclosed
US-8148578-B2 Fast acting naratriptan composition EMISPHERE TECHNOLOGIES INC. (US) 2012-04-03 US disclosed
US-8148578-B2 Fast acting naratriptan composition EMISPHERE TECHNOLOGIES INC. (US) 2012-04-03 US disclosed
US-8076333-B2 Fast acting naratriptan composition EMISPHERE TECHNOLOGIES INC. (US) 2011-12-13 US disclosed
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION EMISPHERE TECHNOLOGIES, INC. (US) 2011-12-08 US disclosed
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION EMISPHERE TECHNOLOGIES, INC. (US) 2011-12-08 US disclosed
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION EMISPHERE TECHNOLOGIES, INC. (US) 2011-12-08 US disclosed
US-20090253702-A1 FAST ACTING NARATRIPTAN COMPOSITION EMISPHERE TECHNOLOGIES INC. (US) 2009-10-08 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 (2 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-20090253702-A1 FAST ACTING NARATRIPTAN COMPOSITION HTR1D, HTR3E, HPD LTA4H 194/4885FFAR1 2274/4885TSHR 3829/4885
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION HTR1D, HTR3E, HPD LTA4H 194/4885FFAR1 2274/4885TSHR 3829/4885

“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.