SCHEMBL5652730

SCHEMBL5652730

O=C(NCCCCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)NCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.89
CHRM3 P20309 20/20 0.89

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
SCHEMBL5652722 1.00 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL5652706 1.00 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL5650311 0.97 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL5650323 0.97 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL5650335 0.97 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL2840248 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL2848548 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL2848547 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL2840242 0.94 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL2848551 0.94 ADRB2 (1.00) ADRB2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-06 US claimed
US-7141671-B2 Chronic obstructive pulmonary dusease; asthma THERAVANCE, INC. (US) 2006-11-28 US claimed
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma THERAVANCE BIOPHARMA R&D IP, LLC 2004-08-26 US claimed

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-20070208176-A1 Biphenyl-2-ylcarbamic acid 1-{7-[(R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethylamino]heptyl}piperidin-4-yl ester; beta 2 adrenergic receptor agonist and muscarinic receptor antagonist; bronchodilator agent; pulmonary disorders, chronic obstructive pulmonary disease and asthma ADRB2, ADRA2B, ADRB1 ADRB2 1/4885CHRM3 24/4885
US-20040167167-A1 Chronic obstructive pulmonary dusease; asthma ADRB1, ADRB2, ADRA2B ADRB2 2/4885CHRM3 17/4885

“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.