SCHEMBL18624652

SCHEMBL18624652

CB(O)N1CCN(C)C1Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.38
CHRNA3 P32297 5/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.32
CHRNA5 P30532 1/20 0.31
HRH1 P35367 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL18624654 0.71 HRH3 (0.35) CHRNB4CHRNA3SLC6A2SLC6A3CARM1
SCHEMBL26348163 0.67 SLC6A2 (0.44) CHRNB4CHRNA3SLC6A2SLC6A3CARM1
SCHEMBL16004566 0.67 USP30 (0.45) CHRNA7
SCHEMBL11170273 0.61 CHRNB4 (0.46) CHRNB4CHRNA3SLC6A2SLC6A3CARM1
SCHEMBL3436987 0.60 SMN1; SMN2 (0.71) SLC6A2SLC6A3CARM1PRMT6SMN1; SMN2
SCHEMBL16707767 0.60 SLC6A2 (0.53) SLC6A2SLC6A3CARM1PRMT6SMN1; SMN2
SCHEMBL24804361 0.59 SLC6A2 (0.56) CHRNB4CHRNA3SLC6A2SLC6A3CARM1
SCHEMBL9683676 0.59 SLC6A2 (0.56) SLC6A2SLC6A3CARM1PRMT6SMN1; SMN2
SCHEMBL714763 0.59 SMN1; SMN2 (0.59) SLC6A2SLC6A3CARM1PRMT6SMN1; SMN2
SCHEMBL10262302 0.59 SMN1; SMN2 (0.59) SLC6A2SLC6A3CARM1PRMT6SMN1; SMN2

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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-03-16 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-20170072390-A1 SYNTHESIS OF ACYCLIC AND CYCLIC AMINES USING IRON-CATALYZED NITRENE GROUP TRANSFER FTH1, FLI1, FECH CHRNB4 3935/4885CHRNA3 3130/4885SLC6A2 405/4885

“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.