SCHEMBL4874783

SCHEMBL4874783

COc1ccccc1N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
HTR1A P08908 5/20 0.52
ADRA1D P25100 4/20 0.52
ADRA1A P35348 4/20 0.52
ADRA1B P35368 4/20 0.52
DRD3 P35462 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
AKR1C3 P42330 1/20 0.50
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
ALDH1A1 P00352 3/20 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
SCHEMBL4880864 0.90 DRD2 (0.52) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4873768 0.89 SOAT1 (0.55) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4878235 0.85 SOAT1 (0.52) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4881137 0.84 CA12 (0.49) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4881130 0.83 DRD2 (0.49) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL27762677 0.82 DRD2 (0.55) DRD2HTR1ADRD3MEN1POLB
SCHEMBL5477019 0.80 SOAT1 (0.54) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4878061 0.79 SOAT1 (0.58) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL5476169 0.78 SOAT1 (0.55) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL4876812 0.78 SOAT1 (0.49) DRD2KMT2AALDH1A1

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 715/4885HTR1A 2072/4885ADRA1D 310/4885

“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.