SCHEMBL18017290

SCHEMBL18017290

O=C(c1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.62
▸ ADRB1 P08588 15/20 0.62
▸ ADRB3 P13945 6/20 0.56

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
SCHEMBL24404497 0.91 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL18813850 0.88 ADRB2 (0.56) ADRB2ADRB1ADRB3
SCHEMBL18557690 0.87 ADRB2 (0.58) ADRB2ADRB1ADRB3
SCHEMBL24404454 0.86 ADRB2 (0.53) ADRB2ADRB1ADRB3
SCHEMBL21568647 0.85 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL21568646 0.85 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL17074683 0.85 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL17074684 0.85 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL17074685 0.85 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL18557659 0.82 ADRB2 (0.62) ADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 — — 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 (1 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ADRB2 1/4885ADRB1 2/4885ADRB3 7/4885

“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.

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