SCHEMBL4882594

SCHEMBL4882594

COc1ccccc1N1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD3 P35462 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
HTR6 P50406 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
OPRM1 P35372 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.48
OPRD1 P41143 1/20 0.48
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47

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
SCHEMBL5465370 0.91 DRD2 (0.51) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5466054 0.89 DRD4 (0.52) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL4870906 0.87 KMT2A (0.67) DRD2DRD3SMN1; SMN2MAPTKMT2A
SCHEMBL5482306 0.87 KMT2A (0.51) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5476121 0.87 KMT2A (0.53) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5480775 0.87 KMT2A (0.57) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5477091 0.86 KMT2A (0.50) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5475687 0.86 KMT2A (0.50) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5477018 0.86 GAA (0.50) DRD2DRD3SMN1; SMN2HTR3EHTR3B
SCHEMBL5470196 0.86 KMT2A (0.50) DRD2DRD3SMN1; SMN2HTR3EHTR3B

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 DRD2 715/4885DRD3 482/4885SMN1; SMN2 3219/4885

“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.