SCHEMBL2061850

SCHEMBL2061850

OCCN(CCO)CCc1ccccc1Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.56
SLC6A4 P31645 5/20 0.50
SLC6A2 P23975 4/20 0.50
RIPK1 Q13546 1/20 0.46
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FFAR1 O14842 1/20 0.42
SLC1A5 Q15758 2/20 0.40
SLC6A3 Q01959 3/20 0.40
HTR2A P28223 2/20 0.40
CYP19A1 P11511 1/20 0.39
HTR1A P08908 1/20 0.39
MAOA P21397 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
TTR P02766 1/20 0.38

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
SCHEMBL9999395 0.93 TSHR (0.53) HRH1SLC6A4SLC6A2RIPK1TSHR
SCHEMBL1067253 0.83 HRH1 (0.67) HRH1SLC6A4SLC6A2RIPK1TSHR
SCHEMBL2061855 0.80 HRH1 (0.51) HRH1SLC6A4SLC6A2RIPK1FFAR1
SCHEMBL1070099 0.80 HRH1 (0.62) HRH1SLC6A4SLC6A2RIPK1FFAR1
SCHEMBL8516631 0.77 HRH1 (0.59) HRH1SLC6A4SLC6A2RIPK1FFAR1
SCHEMBL2062575 0.77 LTA4H (0.56) TSHRHSD17B10FFAR1MMP2MMP9
SCHEMBL16111413 0.75 HRH1 (0.67) HRH1SLC6A4SLC6A2RIPK1TSHR
SCHEMBL2061852 0.75 HRH1 (0.53) HRH1SLC6A4SLC6A2RIPK1FFAR1
SCHEMBL194417 0.75 HRH1 (0.60) HRH1SLC6A4SLC6A2RIPK1TSHR
SCHEMBL6503487 0.73 HRH1 (0.62) HRH1SLC6A4SLC6A2RIPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HRH1 212/4885SLC6A4 24/4885SLC6A2 115/4885
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION HTR1D, HTR3E, HPD HRH1 212/4885SLC6A4 24/4885SLC6A2 115/4885

“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.