SCHEMBL21064360

SCHEMBL21064360

CCc1cccc2c1C(N(C)C)c1ccccc1-2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.58
SLC22A2 O15244 1/20 0.44
SLC22A3 O75751 1/20 0.44
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2A P28223 1/20 0.32
PDK2 Q15119 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL18241886 0.77 GABRA1 (0.38) GPR3HRH3GABRA1GABRB2BCHE
SCHEMBL8852550 0.77 GPR3 (0.64) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL3485947 0.76 HTR2A (0.42) GPR3KMT2AGABRA1GABRB2BCHE
SCHEMBL18456626 0.76 GPR3 (0.62) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL6676651 0.76 GPR3 (0.62) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL29151907 0.76 GABRA1 (0.45) KMT2AGABRA1GABRB2BCHEACHE
SCHEMBL1509312 0.75 GPR3 (1.00) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL28709520 0.73 GPR3 (0.95) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL18456624 0.73 GPR3 (0.58) GPR3SLC22A2SLC22A3KMT2AHRH3
SCHEMBL18418388 0.73 GPR3 (0.58) GPR3SLC22A2SLC22A3KMT2AHRH3

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-10308607-B2 Fucosidase inhibitors HORIZON ORPHAN LLC (US) 2019-06-04 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-10308607-B2 Fucosidase inhibitors FUCA1, FUCA2, ENGASE GPR3 4017/4885SLC22A2 2544/4885SLC22A3 2059/4885

“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.