SCHEMBL19801264

SCHEMBL19801264

CCC1CCCCCCC(c2ccc(N3C4CCCCC4[C@@H]4CCCCC43)cc2)(C2CCCCCC(CC)CC2)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.36
SLC6A2 P23975 13/20 0.36
SLC6A3 Q01959 13/20 0.36
CYP2D6 P10635 6/20 0.35
KCNH2 Q12809 4/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP3A4 P08684 2/20 0.33
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL11096853 0.77 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL19801263 0.73 SLC18A3 (0.37)
SCHEMBL7760357 0.70 SLC6A3 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL9225672 0.68 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3OPRM1OPRD1
SCHEMBL8921684 0.68 SLC6A3 (0.50) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL6567172 0.66 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL9177828 0.66 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL8435345 0.66 OPRM1 (0.41) SLC6A4SLC6A2SLC6A3KCNH2OPRM1
SCHEMBL9177824 0.66 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL22500142 0.64 ESR2 (0.53) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180026207-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-01-25 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-20180026207-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device FLI1, ESR1, TRPA1 SLC6A4 1849/4885SLC6A2 2797/4885SLC6A3 1702/4885

“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.