SCHEMBL19979164

SCHEMBL19979164

CC1C=CCC2OCCNC12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRNA7 P36544 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
SCHEMBL18026831 0.78
SCHEMBL15479679 0.77
SCHEMBL13172658 0.65
SCHEMBL19979176 0.62 SLC6A2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL21276777 0.62 SLC6A2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL18950742 0.60 CHRM2 (0.31) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL28030268 0.60 SLC6A2 (0.30) SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL12475866 0.60
Hydrochloric Acid SCHEMBL15311920 0.59 DRD3 (0.30)
SCHEMBL22421291 0.59 SLC6A2 (0.34) SLC6A2ADRA1AHTR2BSLC6A3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233156-B2 9-membered fused ring derivative SHIONOGI & CO., LTD. (JP) 2019-03-19 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 US disclosed
US-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE SHIONOGI & CO., LTD. (JP) 2018-03-22 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-20180079727-A1 9-MEMBERED FUSED RING DERIVATIVE ACSS2, AGTR2, ACSL3 SLC6A2 1864/4885ADRA1A 1179/4885HTR2B 2951/4885
US-10233156-B2 9-membered fused ring derivative AGTR2, ACSS2, ACSL3 SLC6A2 1663/4885ADRA1A 1291/4885HTR2B 2878/4885

“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.