SCHEMBL20760976

SCHEMBL20760976

COC1CCC(N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
MBTD1 Q05BQ5 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
ALDH1A1 P00352 4/20 0.53
DRD2 P14416 1/20 0.52
DRD3 P35462 1/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL14161697 0.86 GRIN2B (0.76) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL8618958 0.84 HRH3 (0.51) GRIN2BL3MBTL1L3MBTL3DRD2DRD3
SCHEMBL8911504 0.83 MBTD1 (0.52) GRIN2BL3MBTL1MBTD1L3MBTL3DRD2
SCHEMBL11980117 0.81 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL13240777 0.81 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL737747 0.81 GRIN2B (0.65) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
Hydrochloric Acid SCHEMBL29224139 0.81 MBTD1 (0.50) GRIN2BL3MBTL1MBTD1L3MBTL3DRD2
SCHEMBL30387 0.81 GAA (0.56) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL12662876 0.80 L3MBTL3 (0.73) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1
SCHEMBL13648728 0.79 L3MBTL3 (0.72) GRIN2BL3MBTL1MBTD1L3MBTL3ALDH1A1

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-10695449-B2 Catalytic radiofluorination THE GENERAL HOSPITAL CORPORATION (US) 2020-06-30 US disclosed
US-20190054198-A1 CATALYTIC RADIOFLUORINATION THE GENERAL HOSPITAL CORPORATION 2019-02-21 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 (2 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-20190054198-A1 CATALYTIC RADIOFLUORINATION KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885L3MBTL1 3388/4885MBTD1 4617/4885
US-10695449-B2 Catalytic radiofluorination KCNJ5, KCNQ5, KCNK18 GRIN2B 4487/4885L3MBTL1 3388/4885MBTD1 4617/4885

“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.