SCHEMBL17031689

SCHEMBL17031689

CCO[C@@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)c1ccc(O)c(CC)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.67
▸ ADRB1 P08588 15/20 0.67
▸ MLNR O43193 1/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ DRD1 P21728 1/20 0.67
▸ SLC6A2 P23975 1/20 0.67
▸ HTR2A P28223 1/20 0.67
▸ SLC6A4 P31645 1/20 0.67
▸ ADRA1A P35348 1/20 0.67
▸ PTGS2 P35354 1/20 0.67
▸ MC3R P41968 1/20 0.67
▸ SLC6A3 Q01959 1/20 0.67
▸ PDE4D Q08499 1/20 0.67
▸ SCN5A Q14524 1/20 0.67
▸ GHSR Q92847 1/20 0.67
▸ ADRB3 P13945 15/20 0.66

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
SCHEMBL15614725 0.94 ADRB2 (0.66) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17031691 0.90 ADRB2 (0.56) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17031688 0.89 ADRB2 (0.84) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17033012 0.84 ADRB2 (0.54) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL15614726 0.84 ADRB2 (0.81) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL21023962 0.81 ADRB2 (0.82) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL17031687 0.81 ADRB2 (1.00) ADRB2ADRB1MLNRNR1I2ABCB11
Vilanterol SCHEMBL29352123 0.81 ADRB2 (1.00) ADRB2ADRB1MLNRNR1I2ABCB11
Vilanterol SCHEMBL15614685 0.81 ADRB2 (1.00) ADRB2ADRB1MLNRNR1I2ABCB11
Vilanterol SCHEMBL29623445 0.81 ADRB2 (1.00) ADRB2ADRB1MLNRNR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF PERRIGO API LTD. (IL) 2015-08-27 — — 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-20150239862-A1 PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF VAT1, VKORC1L1, VKORC1 ADRB2 1369/4885ADRB1 965/4885MLNR 533/4885

“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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