SCHEMBL9999446

SCHEMBL9999446

CCCN(CCO)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.55
DRD3 P35462 3/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD5 P21918 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 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
HSD17B10 Q99714 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL9999325 0.92 OPRK1 (0.49) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL9999268 0.83 TSHR (0.63) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL15499229 0.81 DRD2 (0.53) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL6567560 0.80 OPRK1 (0.60) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL552965 0.80 DRD3 (0.71) DRD2DRD3OPRM1OPRD1OPRK1
Water SCHEMBL8160723 0.79 OPRK1 (0.58) DRD2DRD3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL28327056 0.79 DRD3 (0.69) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL13658167 0.78 OPRK1 (0.57) DRD2DRD3OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL7234399 0.78 BCHE (0.67) DRD2DRD3OPRM1OPRD1OPRK1
SCHEMBL10901912 0.78 OPRM1 (0.63) DRD2DRD3OPRM1OPRD1OPRK1

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 2 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-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION EMISPHERE TECHNOLOGIES, INC. (US) 2011-12-08 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 (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-20110301244-A1 FAST ACTING NARATRIPTAN COMPOSITION HTR1D, HTR3E, HPD DRD2 42/4885DRD3 54/4885OPRM1 386/4885

“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.