SCHEMBL4803345

SCHEMBL4803345

COc1cc(F)cc2ccsc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 4/20 0.39
HTR2C P28335 4/20 0.39
HTR2B P41595 1/20 0.39
PDE2A O00408 1/20 0.39
PDE6D O43924 1/20 0.39
PDE6A P16499 1/20 0.39
PDE6G P18545 1/20 0.39
PDE4A P27815 1/20 0.39
PDE6B P35913 1/20 0.39
PDE6C P51160 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE6H Q13956 1/20 0.39
PDE10A Q9Y233 1/20 0.39
KEAP1 Q14145 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RPS6KB2 Q9UBS0 1/20 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
SCHEMBL15018567 0.81 ACHE (0.43) MAPTTSHRHTR2AHTR2CKEAP1
SCHEMBL10368828 0.81 CA12 (0.42) MAPTTSHRMEN1ALDH1A1KMT2A
SCHEMBL14673728 0.76 MAPT (0.41) MAPTTSHRHTR2AHTR2CPDE10A
SCHEMBL29403663 0.75 TTR (0.40) MAPTTSHRHTR2AHTR2CHTR2B
SCHEMBL22607007 0.75 PDE4A (0.38) MAPTTSHRHTR2AHTR2CPDE4A
SCHEMBL30395946 0.75 PDE4A (0.38) MAPTTSHRHTR2AHTR2CPDE4A
SCHEMBL22315354 0.75 TTR (0.40) MAPTTSHRHTR2AHTR2CHTR2B
SCHEMBL927042 0.74 MAPT (0.41) MAPTTSHRHTR2AHTR2CPDE10A
SCHEMBL19731266 0.74 CA12 (0.51) TSHRALDH1A1RAB9ACA2
SCHEMBL806525 0.74 MEN1 (0.31) MAPTPDE2APDE6DPDE6APDE6G

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 11 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-7410996-B2 3-aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ELI LILLY AND COMPANY (US) 2006-08-03 US disclosed
US-7037932-B2 Heteroaryloxy 3-substituted propanamines as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2006-05-02 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
EP-1397129-B1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2005-11-16 EP disclosed
EP-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2004-09-09 US disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed
EP-1397129-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094262-A1 HETEROARYLOXY 3-SUBSTITUTED PROPANAMINES S SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2002-11-28 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 (3 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 MAPT 4037/4885TSHR 588/4885HTR2A 131/4885
US-20060173035-A1 3-Aryloxy/thio-2,3-substituted propanamines and their use in inhibiting serotonin and norepinephrine reuptake ADRB3, SLC6A3, SLC6A2 MAPT 3524/4885TSHR 630/4885HTR2A 142/4885
US-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 MAPT 2412/4885TSHR 952/4885HTR2A 42/4885

“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.