SCHEMBL2615137

SCHEMBL2615137

CN1CCCC(n2nc(Cc3ccc([18F])cc3)c3ccccc3c2=O)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 19/20 0.81
▸ ADRA1A P35348 18/20 0.81
▸ ADRA1B P35368 18/20 0.81
▸ HRH3 Q9Y5N1 11/20 0.81
▸ ADRA2A P08913 2/20 0.81
▸ CHRM1 P11229 2/20 0.81
▸ ADRA2B P18089 2/20 0.81
▸ HTR2A P28223 2/20 0.81
▸ DRD3 P35462 2/20 0.81
▸ ABCB1 P08183 2/20 0.81
▸ KCNH2 Q12809 2/20 0.81
▸ CHRM2 P08172 1/20 0.81
▸ ADRB1 P08588 1/20 0.81
▸ CYP2D6 P10635 1/20 0.81
▸ GABRA1 P14867 1/20 0.81
▸ ADRA2C P18825 1/20 0.81
▸ SLC6A2 P23975 1/20 0.81
▸ HTR2C P28335 1/20 0.81
▸ SLC6A4 P31645 1/20 0.81
▸ OPRM1 P35372 1/20 0.81

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
SCHEMBL2615138 1.00 HRH1 (0.81) HRH1ADRA1AADRA1BHRH3ADRA2A
SCHEMBL10557572 0.96 ADRA1A (0.80) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL30910968 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL17803891 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL29370712 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL17223862 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL4240 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL4239 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL4433245 0.90 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A
Azelastine SCHEMBL36771 0.89 ADRA1A (1.00) HRH1ADRA1AADRA1BHRH3ADRA2A

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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 — — 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS HRH1 4629/4885ADRA1A 4610/4885ADRA1B 4253/4885

“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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