SCHEMBL2908240

SCHEMBL2908240

OC(Cc1ccccc1OC(F)(F)F)(C1CCCC1)C1CNCCO1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.64
SLC6A4 P31645 5/20 0.38
TACR1 P25103 1/20 0.37
CYP2D6 P10635 2/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 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
Hydrochloric Acid SCHEMBL2907780 0.99 SLC6A2 (0.63) SLC6A2SLC6A4TACR1CYP2D6KCNH2
SCHEMBL2910447 0.94 SLC6A2 (0.56) SLC6A2SLC6A4TACR1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL2902520 0.93 SLC6A2 (0.56) SLC6A2SLC6A4TACR1CYP2D6KCNH2
SCHEMBL2903548 0.85 SLC6A2 (0.68) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
Hydrochloric Acid SCHEMBL2902120 0.84 SLC6A2 (0.67) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL2906812 0.83 SLC6A2 (0.72) SLC6A2SLC6A4CYP2D6SLC6A3HTR2B
Hydrochloric Acid SCHEMBL2909359 0.82 SLC6A2 (0.71) SLC6A2SLC6A4CYP2D6SLC6A3HTR2B
SCHEMBL5449233 0.81 SLC6A2 (0.77) SLC6A2SLC6A4TACR1CYP2D6KCNH2
SCHEMBL2919619 0.81 SLC6A2 (0.56) SLC6A2SLC6A4CYP2D6KCNH2SLC6A3
SCHEMBL5042325 0.81 SLC6A2 (0.77) SLC6A2SLC6A4TACR1CYP2D6KCNH2

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
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-2223916-A1 Morpholine derivatives as norepinephrine reuptake inhibitors Eli Lilly and Company (US) 2010-09-01 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
EP-1682523-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2010-08-18 EP disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
US-7423037-B2 e.g. 1-[1,1'-biphenyl]-2-yl-2-morpholin-2-ylpropan-2-ol; antidepressant, anxiolytic agent, cognition activator ELI LILLY AND COMPANY (US) 2008-09-09 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors ELI LILLY AND COMPANY (US) 2007-04-12 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 US disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 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-20070083046-A1 Morpholine derivatives as norepinephrine reuptake inhibitors SLC6A2, SLC18A2, SLC6A3 SLC6A2 1/4885SLC6A4 4/4885TACR1 174/4885
US-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SLC6A2 1/4885SLC6A4 2/4885TACR1 244/4885

“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.