SCHEMBL247128

SCHEMBL247128

O=c1ccc2c([C@@H](O)CNCCCCCCNCCc3ccccc3)ccc(O)c2[nH]1

nearest known ligand 0.88

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.88
ADRB1 P08588 13/20 0.88
DRD2 P14416 2/20 0.67
DRD1 P21728 2/20 0.67
DRD4 P21917 2/20 0.67
DRD3 P35462 2/20 0.67

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
SCHEMBL383587 1.00 ADRB2 (0.88) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL14221484 0.91 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL5127959 0.89 ADRB2 (0.87) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL244696 0.89 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4889160 0.89 ADRB2 (0.80) ADRB2ADRB1DRD2DRD1DRD4
Acetic Acid SCHEMBL5120379 0.86 ADRB2 (0.81) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4895143 0.85 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17074684 0.84 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL17074685 0.84 ADRB2 (0.71) ADRB2ADRB1
SCHEMBL17074683 0.84 ADRB2 (0.71) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US claimed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US claimed
US-20050272769-A1 Diamine beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2005-12-08 US claimed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
CN-108026080-B Pyrazolyl-substituted heteroaryl compounds and their use as medicaments 勃林格殷格翰国际有限公司 2021-06-11 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
CN-110713489-A Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2020-01-21 CN disclosed
EP-3119765-B1 HETEROARYL SYK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3347353-B1 PYRAZOLYL-SUBSTITUTED HETEROARYLS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed
EP-3119772-B1 HETEROARYL SIK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US disclosed
US-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US disclosed
US-7402673-B2 Diamine β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-07-22 US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US disclosed
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-02-14 US disclosed
WO-2007134964-A1 NOVEL MEDICAMENT COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
WO-2007135024-A1 NEW LONG-ACTING DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-29 WO disclosed
US-20050272769-A1 Diamine beta2 adrenergic receptor agonists THERAVANCE, INC. (US) 2005-12-08 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 (3 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-20050272769-A1 Diamine beta2 adrenergic receptor agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 53/4885
US-20080039495-A1 Diamine Beta2 Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2C ADRB2 1/4885ADRB1 2/4885DRD2 53/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 ADRB2 1410/4885ADRB1 887/4885DRD2 354/4885

“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.