SCHEMBL4870313

SCHEMBL4870313

Oc1ccc2[c]ccc(O)c2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL3466427 0.76 OPRK1 (0.33) OPRK1KMT2AMETAP2
SCHEMBL144184 0.69 METAP2 (0.48) OPRK1KMT2AMETAP2
SCHEMBL9799101 0.67 ACHE (0.31) ACHE
SCHEMBL9172751 0.66 MMP2 (0.49) KMT2AMETAP2
SCHEMBL6844002 0.63 CCR1 (0.43) KMT2AACHEMETAP2
SCHEMBL9776373 0.62
SCHEMBL30082244 0.62 METAP2 (0.63) KMT2AACHEMETAP2
SCHEMBL672744 0.62 METAP2 (0.63) KMT2AACHEMETAP2
SCHEMBL8467497 0.61 METAP2 (0.48) KMT2AACHEMETAP2
SCHEMBL8840923 0.61 MYC (0.37) OPRK1KMT2AACHE

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP claimed
EP-1019075-B1 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2005-08-24 EP claimed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7427639-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2008-09-23 US disclosed
US-20070179179-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-08-02 US disclosed
US-7217738-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-15 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7105701-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2006-09-12 US disclosed
US-20060183918-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2006-08-17 US disclosed
EP-1019075-B9 BETA 2-ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2006-08-16 EP disclosed
US-20050261338-A1 Beta2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2005-11-24 US disclosed
EP-1019360-A4 $g(b)2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-19 EP disclosed
EP-1019360-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP disclosed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO disclosed
WO-1999064034-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-06-29 WO disclosed
EP-1003540-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-05-31 EP disclosed
WO-1999064031-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-05-04 WO disclosed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064031-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064034-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 (4 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-20050261338-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B OPRK1 28/4885KMT2A 4173/4885ACHE 734/4885
US-20060183918-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B OPRK1 26/4885KMT2A 4098/4885ACHE 682/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B OPRK1 28/4885KMT2A 4173/4885ACHE 734/4885
US-20070179179-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B OPRK1 28/4885KMT2A 4173/4885ACHE 734/4885

“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.