Sugi Predict

Sugi Predict / Compounds / SCHEMBL1200769

SCHEMBL1200769

SCHEMBL1200769

CNCC[C@@H](Oc1cccc(C)c1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.75
▸ SLC6A2 P23975 5/20 0.60
▸ CYP2D6 P10635 5/20 0.59
▸ CYP1A2 P05177 4/20 0.59
▸ CYP3A4 P08684 4/20 0.59
▸ CHRM1 P11229 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ ADRA2B P18089 3/20 0.59
▸ HTR2A P28223 3/20 0.59
▸ HTR2C P28335 3/20 0.59
▸ HRH1 P35367 3/20 0.59
▸ OPRM1 P35372 3/20 0.59
▸ OPRK1 P41145 3/20 0.59
▸ HTR2B P41595 3/20 0.59
▸ SLC6A3 Q01959 3/20 0.59
▸ KCNH2 Q12809 3/20 0.59
▸ HRH3 Q9Y5N1 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ DRD3 P35462 2/20 0.59

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
SCHEMBL31733949 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL30163449 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL5014117 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL1200912 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17685573 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941955 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8197696 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL5011928 0.86 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7053900 0.86 SLC6A4 (0.75) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4941345 0.85 SLC6A4 (0.97) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604906-B2 Process for the preparation of 3-aryloxy-3-phenylpropylamine and salt thereof ZCL CHEMICALS LIMITED (IN) 2017-03-28 — — US disclosed
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2016-04-21 — — US disclosed
US-7893281-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2011-02-22 — — US disclosed
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS LANXESS DEUTSCHLAND GMBH (DE) 2009-11-19 — — US disclosed
US-7582776-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2009-09-01 — — US disclosed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 — — US disclosed
EP-1761478-B1 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARM FINE CHEMICALS SRL (IT) 2008-09-03 — — EP disclosed
US-7378553-B2 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2008-05-27 — — US disclosed
CN-1946678-A Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARM FINE CHEMICALS SRL (IT) 2007-04-11 — — CN disclosed
EP-1761478-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2007-03-14 — — EP disclosed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 — — US disclosed
WO-2006004979-A2 AN ISOLATED ATOMOXETINE IMPURITY, PROCESSES FOR THE PREPARATION OF ATOMOXETINE IMPURITIES AND THEIR USE AS REFERENCE STANDARDS TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-01-12 — — WO disclosed
US-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards TEVA PHARMCEUTICALS USA, INC. 2006-01-12 — — US disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 — — 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 (5 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 SLC6A4 1738/4885SLC6A2 1337/4885CYP2D6 30/4885
US-20060009532-A1 Isolated atomoxetine impurity, processes for the preparation of atomoxetine impurities and their use as reference standards PNMT, HTR3C, TH SLC6A4 34/4885SLC6A2 22/4885CYP2D6 158/4885
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS AHR, CYP1A1, CYP1A2 SLC6A4 1738/4885SLC6A2 1337/4885CYP2D6 30/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR SLC6A4 2057/4885SLC6A2 1584/4885CYP2D6 28/4885
US-20160107983-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF 3-ARYLOXY-3-PHENYLPROPYLAMINE AND SALT THEREOF PAH, TYR, NAT1 SLC6A4 162/4885SLC6A2 76/4885CYP2D6 336/4885

“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.