SCHEMBL6524544

SCHEMBL6524544

OCCc1cccc(CCN2CC3(CNCCO3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.43
SLC6A3 Q01959 13/20 0.43
SLC6A2 P23975 12/20 0.43
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
DRD1 P21728 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM1A O60341 1/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
Hydrochloric Acid SCHEMBL1247294 0.99 SLC6A4 (0.42) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL2141459 0.81 SLC6A2 (0.52) SLC6A4SLC6A3SLC6A2TSHRKMT2A
SCHEMBL1247130 0.75 CHRM2 (0.39) SIGMAR1CHRM2KMT2A
SCHEMBL17318884 0.72 LMNA (0.59) SLC6A4SLC6A3SLC6A2SIGMAR1LMNA
SCHEMBL1246854 0.70 MGLL (0.37) SIGMAR1CHRM2
SCHEMBL1246679 0.68 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2
SCHEMBL2142306 0.68 SLC6A2 (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL13115964 0.67 TSHR (0.56) SLC6A4SLC6A3SLC6A2SIGMAR1CHRM2
SCHEMBL1801087 0.67 HRH3 (0.63) SLC6A4SLC6A3SIGMAR1HRH3
SCHEMBL1246064 0.65 SLC6A2 (0.44) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 US disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 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 (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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 SLC6A4 726/4885SLC6A3 232/4885SLC6A2 96/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 SLC6A4 726/4885SLC6A3 232/4885SLC6A2 96/4885

“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.