SCHEMBL5068256

SCHEMBL5068256

O=C1c2ccccc2C(=O)N1CCCOc1ccc(F)cc1

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.85
NPC1 O15118 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.77
MAPT P10636 2/20 0.77
ALDH1A1 P00352 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KMT2A Q03164 1/20 0.64
HPGD P15428 3/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ATM Q13315 1/20 0.63
TSHR P16473 1/20 0.56
ACHE P22303 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL15923144 0.94 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL1677061 0.92 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL7299163 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8298007 0.86 RAB9A (0.79) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL24658769 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5631833 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5667062 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10050510 0.84 RAB9A (0.85) RAB9ANPC1SMN1; SMN2MAPTHSD17B10
SCHEMBL10674350 0.84 RAB9A (0.82) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8487005 0.84 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2008-10-23 US disclosed
WO-2006110626-A1 AMIDOPROPOXYPHENYL OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-10-19 WO disclosed
WO-2003055866-A1 QUINAZOLINE AND QUINOLINE DERIVATIVE COMPOUNDS AS INHIBITORS OF PROLYLPEPTIDASE, INDUCERS OF APOPTOSIS AND CANCER TREATMENT AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-10 WO disclosed
US-6486173-B2 SEROTONIN-7 (5-HT7); TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS SLEEP DISORDERS, DEPRESSION AND SCHIZOPHRENIA; FOR EXAMPLE 1,3-DIHYDRO-2-((4-(4-FLUOROPHENYL)-4-OXOBUTYL))ISOINDOLE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-26 US disclosed
US-20010041714-A1 5-HT7 receptor antagonists CAIN GARY A (US) 2001-11-15 US disclosed
US-6239143-B1 TREATMENT CNS DISORDERS SUCH AS ANXIETY, DEPRESSION, SLEEP DISORDERS, AND SCHIZOPHRENIA. DUPONT PHARMACEUTICALS COMPANY 2001-05-29 US disclosed
WO-2000000472-A1 5-HT7 RECEPTOR ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-01-06 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-20010041714-A1 5-HT7 receptor antagonists HTR7, HTR5A, HTR1A RAB9A 2146/4885NPC1 1151/4885SMN1; SMN2 962/4885
US-20080262046-A1 Amidopropoxyphenyl Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR RAB9A 2158/4885NPC1 767/4885SMN1; SMN2 2684/4885

“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.