SCHEMBL24712697

SCHEMBL24712697

CN1CCN(c2ccccc2S(C)(=O)=O)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.69
ADRA2C P18825 1/20 0.53
EGFR P00533 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
ADRA1D P25100 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 5/20 0.50
HTR6 P50406 8/20 0.48
CYP3A4 P08684 1/20 0.48
EED O75530 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTR1A P08908 2/20 0.46
HTR2A P28223 2/20 0.46
DRD4 P21917 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL4825361 0.84 DRD2 (0.62) DRD2EGFRMAPTMAPK1ADRA1D
SCHEMBL24713023 0.81 DRD2 (0.78) DRD2LMNAADRA1DADRA1AADRA1B
SCHEMBL3848435 0.81 HTR6 (0.67) DRD2LMNAMAPTDRD3HTR6
SCHEMBL14194068 0.78 MAPT (0.46) DRD2LMNAMAPTKMT2ACYP3A4
SCHEMBL17290724 0.77 DRD2 (0.44) DRD2ADRA2CEGFRLMNAMAPT
SCHEMBL2552885 0.77 POLB (0.58) DRD2LMNAMAPTHTR6CYP3A4
SCHEMBL28253809 0.75 DRD2 (0.52) DRD2LMNAKMT2AADRA1DADRA1A
SCHEMBL14355835 0.75 TSHR (0.52) DRD2ADRA2CEGFRLMNAMAPT
Hydrochloric Acid SCHEMBL3882302 0.74 HTR6 (0.58) DRD2LMNAMAPTDRD3HTR6
SCHEMBL29954881 0.74 NOTUM (0.52) DRD2LMNAMAPTKMT2AEED

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-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections BAYLOR COLLEGE OF MEDICINE 2022-08-25 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-20220267303-A1 Compounds and Methods for Treating or Preventing Bacterial Infections OXA1L, MMP8, OGG1 DRD2 3147/4885ADRA2C 2380/4885EGFR 3759/4885

“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.