SCHEMBL7682702

SCHEMBL7682702

c1c[nH]c(CN2CCCC2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
DRD4 P21917 1/20 0.64
DRD3 P35462 1/20 0.64
HRH3 Q9Y5N1 2/20 0.45
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
PABPC1 P11940 1/20 0.42
ROCK2 O75116 1/20 0.41
CCR2 P41597 1/20 0.41
ROCK1 Q13464 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
JAK2 O60674 1/20 0.41
RAB9A P51151 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PARP2 Q9UGN5 1/20 0.40
PRMT6 Q96LA8 1/20 0.39

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
SCHEMBL28770942 0.98 DRD2 (0.62) DRD2DRD4DRD3HRH3HTT
SCHEMBL3968181 0.91 DRD2 (0.73) DRD2DRD4DRD3ROCK2CCR2
SCHEMBL8796920 0.84 DRD2 (0.60) DRD2DRD4DRD3HRH3LMNA
SCHEMBL4827267 0.84 DRD2 (0.60) DRD2DRD4DRD3ROCK2CCR2
SCHEMBL7481395 0.82 DRD2 (0.58) DRD2DRD4DRD3HRH3LMNA
SCHEMBL260734 0.82 DRD2 (0.63) DRD2DRD4DRD3HRH3HTT
SCHEMBL14375224 0.80 DRD2 (0.55) DRD2DRD4DRD3HRH3RAB9A
SCHEMBL25422208 0.78 CYP2D6 (0.59) DRD2DRD4DRD3KDM4ELMNA
SCHEMBL30728184 0.78 ROCK2 (0.47) DRD2DRD4DRD3HRH3KDM4E
SCHEMBL28556405 0.77 HRH4 (0.49) DRD2DRD4DRD3HRH3HRH4

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-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2022-04-12 US disclosed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 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-11299490-B2 Benzenesulfonamide compounds and their use as therapeutic agents SCN1A, SCN1B, SCN2B DRD2 2365/4885DRD4 3150/4885DRD3 2583/4885

“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.