SCHEMBL4796684

SCHEMBL4796684

COc1ccc(F)c2ccsc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
NFE2L2 Q16236 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NEK1 Q96PY6 8/20 0.37
MRGPRX1 Q96LB2 1/20 0.36
KEAP1 Q14145 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NQO1 P15559 1/20 0.35
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4803585 0.85 MAPT (0.43) MAPTTSHRNFE2L2PKMALDH1A1
SCHEMBL3151189 0.84 MAPT (0.51) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL4798575 0.78 MAPT (0.47) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL910845 0.77 MAPT (0.46) MAPTTSHRALDH1A1MEN1KMT2A
SCHEMBL22132846 0.76 MAPT (0.42) MAPTTSHRNFE2L2PKMMEN1
SCHEMBL14673501 0.74 MAPT (0.46) MAPTTSHRMEN1KMT2ANEK1
SCHEMBL288409 0.74 PARP15 (0.34)
SCHEMBL19756638 0.73 MAPT (0.36) MAPTTSHRALDH1A1MEN1RAB9A
SCHEMBL4802256 0.73 IMPDH2 (0.54) MAPTTSHRALDH1A1
SCHEMBL2995013 0.73 ALDH1A1 (0.43) MAPTTSHRALDH1A1MEN1RAB9A

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 24 patents — showing the first 20. 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-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7410982-B2 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2008-08-12 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-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-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
EP-1567501-B1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2006-10-25 EP 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
EP-1587781-A1 3-ARYLOXY/THIO-2,3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2005-10-26 EP disclosed
EP-1567501-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-31 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-2004043903-A1 3-ARYLOXY/ THIO-2, 3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO 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
WO-2004043931-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS 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 (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-20040176435-A1 Heteroaryloxy 3-substituted propanamines s serotonin and norepinephrine reuptake inhibitors ADRA2C, ADRB1, TPH1 MAPT 2412/4885TSHR 952/4885NFE2L2 3278/4885

“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.