SCHEMBL554116

SCHEMBL554116

CCN(CC)C[C@H]1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.42
SLC6A3 Q01959 9/20 0.42
SLC6A4 P31645 8/20 0.42
HTR2A P28223 4/20 0.42
HTR2B P41595 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA2C P18825 1/20 0.39
HRH1 P35367 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL554167 1.00 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL554117 1.00 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL554196 0.98 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL554195 0.98 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL21581529 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1992860 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL6634620 0.80 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL1032530 0.79 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL23700733 0.78 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL21580890 0.78 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160176906-A1 Chemical Compounds ASTRAZENECA AB (SE) 2016-06-23 US disclosed
US-9248140-B2 Chemical compounds ASTRAZENECA AB (SE) 2016-02-02 US disclosed
US-20150328239-A1 Chemical Compounds ASTRAZENECA AB (SE) 2015-11-19 US disclosed
US-9018381-B2 Chemical compounds ASTRAZENECA AB (SE) 2015-04-28 US disclosed
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (UK) 2013-11-21 US disclosed
US-20120035134-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2012-02-09 US disclosed
WO-2012017251-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ASTRAZENECA AB (SE) 2012-02-09 WO 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 (4 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-20120035134-A1 CHEMICAL COMPOUNDS BCL2, BCL2L1, BAX SLC6A2 3702/4885SLC6A3 3880/4885SLC6A4 4260/4885
US-20150328239-A1 Chemical Compounds BCL2, BCL2L1, BAX SLC6A2 3702/4885SLC6A3 3880/4885SLC6A4 4260/4885
US-20160176906-A1 Chemical Compounds BCL2, BCL2L1, BAX SLC6A2 3702/4885SLC6A3 3880/4885SLC6A4 4260/4885
US-20130310344-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BCL2, BAX, BCLAF1 SLC6A2 4248/4885SLC6A3 4230/4885SLC6A4 3815/4885

“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.