SCHEMBL1950765

SCHEMBL1950765

CCOC(=O)NCCC(O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
LMNA P02545 3/20 0.53
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
CASR P41180 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL25496788 0.93 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAHDAC3
SCHEMBL12546804 0.86 MTNR1A (0.51) SMN1; SMN2NPC1RAB9ALMNACASR
SCHEMBL8062422 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL10441979 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL5704283 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL11657304 0.84 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL30799341 0.84 HDAC3 (0.48) SMN1; SMN2NPC1RAB9ALMNAHDAC3
SCHEMBL3510106 0.82 MTNR1A (0.53) SMN1; SMN2NPC1RAB9ALMNACASR
SCHEMBL16084764 0.81 RIPK1 (0.53) MTNR1AMTNR1BGAAKMT2A
SCHEMBL1521024 0.81 RIPK1 (0.53) MTNR1AMTNR1BGAAKMT2A

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
WO-2000007976-A1 FLUOXETINE PROCESS FROM BENZOYLACETONITRILE SEPRACOR INC. (US) 2000-02-17 WO claimed
US-6025517-A Fluoxetine process from benzoylacetonitrile SEPRACOR INC. (US) 2000-02-15 US claimed
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
US-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
EP-1951643-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY Auspex Pharmaceuticals Inc. (US) 2008-08-06 EP disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
WO-2007062119-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2007-05-31 WO disclosed
WO-2000007976-A1 FLUOXETINE PROCESS FROM BENZOYLACETONITRILE SEPRACOR INC. (US) 2000-02-17 WO disclosed
US-6025517-A Fluoxetine process from benzoylacetonitrile SEPRACOR INC. (US) 2000-02-15 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 (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-20110136914-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 307/4885NPC1 643/4885RAB9A 1475/4885
US-20070155820-A1 SUBSTITUTED ARYLOXYPROPYLAMINES WITH SEROTONINERGIC AND/OR NOREPINEPHRINERGIC ACTIVITY SLC6A4, HTR4, GPR34 SMN1; SMN2 307/4885NPC1 643/4885RAB9A 1475/4885

“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.