SCHEMBL2601667

SCHEMBL2601667

C#CCCCCOc1cccnc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
CHRNB1 P11230 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DCPS Q96C86 1/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL8126961 0.81 CYP1A2 (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL3645477 0.81 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL2601680 0.80 MEN1 (0.41) CHRNB2CHRNA4MAPTKDM4EMAOA
SCHEMBL27684835 0.79 PDE5A (0.50) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7245296 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL17672492 0.79 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL14224809 0.79 CYP2C19 (0.56) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL28282489 0.78 PDE5A (0.49) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL6655861 0.77 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL26797009 0.75 PPIA (0.46) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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-8680260-B2 18F-labeled azide compound, reagent for 18F-labeling and method for 18F-labeling of alkyne compound using same RIKEN (JP) 2014-03-25 US disclosed
US-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME RIKEN (JP) 2012-04-26 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-20120101266-A1 18F-LABELED AZIDE COMPOUND, REAGENT FOR 18F-LABELING AND METHOD FOR 18F-LABELING OF ALKYNE COMPOUND USING SAME UMPS, APOBEC3G, FPR1 CHRNB2 1434/4885CHRNA4 2154/4885CHRNB1 1264/4885

“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.