SCHEMBL9999268

SCHEMBL9999268

CCCN(CCO)CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
BCHE P06276 2/20 0.52
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
ACHE P22303 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HIF1A Q16665 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL2062575 0.92 LTA4H (0.56) TSHRHSD17B10OPRK1ACHELTA4H
SCHEMBL9999446 0.83 DRD2 (0.55) TSHRHSD17B10DRD2DRD3OPRM1
SCHEMBL9999395 0.80 TSHR (0.53) TSHRHSD17B10BCHE
SCHEMBL15499229 0.78 DRD2 (0.53) TSHRHSD17B10DRD2DRD3OPRM1
SCHEMBL552965 0.77 DRD3 (0.71) BCHEDRD2DRD3OPRM1OPRD1
SCHEMBL6567560 0.77 OPRK1 (0.60) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL6567515 0.76 AOC3 (0.58)
Water SCHEMBL8160723 0.75 OPRK1 (0.58) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL427538 0.75 LTA4H (0.59) TSHRLTA4H
SCHEMBL16755611 0.75 LTA4H (0.69) TSHRLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TSHR 3829/4885HSD17B10 797/4885BCHE 1711/4885
US-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION HTR1D, HTR3E, HPD TSHR 3829/4885HSD17B10 797/4885BCHE 1711/4885

“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.