SCHEMBL4803683

SCHEMBL4803683

CN(CCC(O)CC1CCCCC1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.39
CTSS P25774 1/20 0.39
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSH P09668 1/20 0.37
HTR2C P28335 5/20 0.37
SLC6A4 P31645 5/20 0.37
HTR2A P28223 1/20 0.34
REN P00797 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
CACNA1B Q00975 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 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
SCHEMBL2990720 0.86 CTSK (0.41) CTSKCTSSCTSLCTSBCTSH
SCHEMBL499190 0.77 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL499191 0.77 CTSK (0.40) CTSKCTSSCTSLCTSBCTSH
SCHEMBL21574018 0.76 HTR2C (0.42) CTSKCTSSCTSLCTSBCTSH
SCHEMBL8911411 0.76 HTR2C (0.42) CTSKCTSSCTSLCTSBCTSH
SCHEMBL27374399 0.76 HTR2C (0.37) HTR2CSLC6A4HTR2ASIGMAR1ALDH1A1
SCHEMBL754325 0.76 CTSK (0.37) CTSK
SCHEMBL15866143 0.76 CTSK (0.40) CTSKCACNA1B
SCHEMBL6327607 0.75 GPR88 (0.36) CTSKCTSSHTR2CSLC6A4
SCHEMBL4803942 0.75 HTR2C (0.38) CTSKCTSSCTSLCTSBCTSH

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-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
EP-1567501-B1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ELI LILLY AND COMPANY 2006-03-16 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-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-1567501-A1 PROPANAMINE DERIVATIVES AS SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-31 EP 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

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-20060014779-A1 3-Aryloxy/thio-3-substituted propanamines and their use in inhibiting serotonin and norephinephrine reuptake ADRB3, HTR3C, CHRNB3 CTSK 3201/4885CTSS 2232/4885CTSL 3012/4885
US-20060058360-A1 Propanamine derivatives as serotonin and norepinephrine reuptake inhibitors ADRB3, SLC6A2, SLC6A3 CTSK 2440/4885CTSS 1385/4885CTSL 2292/4885

“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.