SCHEMBL12629107

SCHEMBL12629107

CC(C)NCC(O)COc1cc([18F])cc2[nH]c3ccccc3c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.74
▸ DNM1 Q05193 1/20 0.74
▸ HTR1A P08908 6/20 0.58
▸ DRD3 P35462 4/20 0.58
▸ ADRA2A P08913 3/20 0.58
▸ SLC6A2 P23975 3/20 0.58
▸ OPRM1 P35372 3/20 0.58
▸ ABCB11 O95342 2/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ ADRB1 P08588 8/20 0.53
▸ ADRB3 P13945 7/20 0.53
▸ CYP1A2 P05177 5/20 0.53
▸ CYP2D6 P10635 5/20 0.53
▸ HTR2C P28335 5/20 0.53
▸ SIGMAR1 Q99720 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 4/20 0.53
▸ SLC6A4 P31645 4/20 0.53
▸ HTR2B P41595 4/20 0.53
▸ HTR2A P28223 4/20 0.53

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
SCHEMBL13495721 0.88 ADRB2 (0.76) ADRB2DNM1HTR1ADRD3ADRA2A
SCHEMBL12407602 0.87 ADRB2 (0.74) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL77903 0.85 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL29354289 0.85 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL6511163 0.85 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL77901 0.85 ADRB2 (1.00) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL7530148 0.84 ADRB2 (0.98) ADRB2DNM1HTR1ADRD3ADRA2A
Carazolol SCHEMBL10568418 0.84 ADRB2 (0.98) ADRB2DNM1HTR1ADRD3ADRA2A
SCHEMBL11088812 0.77 ADRB2 (0.72) ADRB2DNM1HTR1ADRD3ADRA2A
Fluorocarazolol SCHEMBL14155316 0.77 ADRB2 (0.79) ADRB2DNM1HTR1ADRD3ADRA2A

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-7935852-B2 Fluoridation method GE HEALTHCARE LIMITED (GB) 2011-05-03 — — US disclosed
US-7642373-B2 Forming for example [18F]-dopamine or [18F]-uracil via reaction of iodonium salt precursor, where use of free radical scavenger improves yield of aryl fluoride GE HEALTHCARE LIMITED (GB) 2010-01-05 — — US disclosed
US-20070092441-A1 Fluoridation method GE HEALTHCARE LIMITED (GB) 2007-04-26 — — 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-20070092441-A1 Fluoridation method FLNB, FLNA, ARFGEF1 ADRB2 2670/4885DNM1 595/4885HTR1A 3174/4885

“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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