SCHEMBL4802484

SCHEMBL4802484

CCCCC(CCN(C)Cc1ccccc1)Oc1cccc2sccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 4/20 0.34
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
MAOB P27338 3/20 0.34

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
SCHEMBL4797438 0.94 HTR1D (0.40) HTR1DHTR1BATMLMNASIGMAR1
SCHEMBL4802918 0.86 HTR1D (0.40) HTR1DHTR1BATMLMNASIGMAR1
SCHEMBL4798503 0.82 HTR1D (0.41) HTR1DHTR1BATMLMNASIGMAR1
SCHEMBL4805496 0.80 SCN8A (0.37) HTR1DSIGMAR1MAOA
SCHEMBL4804877 0.77 SLC6A2 (0.42)
SCHEMBL4803385 0.76 SCN8A (0.37) SIGMAR1MAOA
Hydrochloric Acid SCHEMBL4801165 0.76 SLC6A2 (0.42)
Hydrochloric Acid SCHEMBL6301709 0.73 HTR2A (0.32)
SCHEMBL4804483 0.69 SLC6A2 (0.44)
SCHEMBL5486237 0.69 ADRA2A (0.44) HTR1DHTR1BATMLMNASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-7417064-B2 3-aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-26 US disclosed
US-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ELI LILLY AND COMPANY (US) 2006-01-19 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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 HTR1D 112/4885HTR1B 121/4885ATM 4329/4885

“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.