SCHEMBL20313985

SCHEMBL20313985

CN1CCN(c2cccc(N(C)C)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
PMM2 O15305 1/20 0.43
MPI P34949 1/20 0.43
PHOSPHO1 Q8TCT1 1/20 0.43
DRD2 P14416 10/20 0.42
DRD3 P35462 10/20 0.42
KCNH2 Q12809 6/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT1 Q99873 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL20313984 0.91 DRD2 (0.41) HDAC1PMM2MPIPHOSPHO1DRD2
SCHEMBL20313982 0.91 PMM2 (0.41) HDAC1PMM2MPIPHOSPHO1DRD2
SCHEMBL20313981 0.80 GAA (0.51) HDAC1PMM2MPIPHOSPHO1DRD2
SCHEMBL8256209 0.79 DRD2 (0.59) DRD2DRD3KCNH2MEN1NPC1
SCHEMBL3373394 0.79 ADRA2C (0.54) DRD2DRD3KCNH2MEN1NPC1
SCHEMBL12362755 0.78 DRD2 (0.50) DRD2DRD3KCNH2MEN1NPC1
SCHEMBL2234870 0.76 MEN1 (0.72) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL14632229 0.75 DRD2 (0.46) DRD2DRD3KCNH2MEN1NPC1
SCHEMBL21349070 0.75 DRD2 (0.60) DRD2DRD3KCNH2MEN1NPC1
SCHEMBL12852521 0.75 CAMK1D (0.42) DRD2DRD3KCNH2MEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof UNIVERSITY OF TSUKUBA (JP) 2019-07-16 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 US disclosed
US-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF UNIVERSITY OF TSUKUBA (JP) 2018-06-28 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-20180179151-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF HCRTR2, HCRTR1, NPSR1 HDAC1 353/4885PMM2 3459/4885MPI 4761/4885
US-10351522-B2 Sulfonamide derivative and pharmaceutically acceptable acid addition salt thereof HCRTR2, HCRTR1, NPSR1 HDAC1 353/4885PMM2 3459/4885MPI 4761/4885

“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.