SCHEMBL17844176

SCHEMBL17844176

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2ccccn2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR1A P08908 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
TSHR P16473 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GABRA5 P31644 1/20 0.31
KDM1A O60341 1/20 0.31
AURKA O14965 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGB6 P18564 1/20 0.31

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
SCHEMBL17844214 0.83 CHRNB2 (0.44) CYP3A4CYP2D6
SCHEMBL5186747 0.83 PTPN2 (0.37)
SCHEMBL17844247 0.82 HTR1B (0.39)
SCHEMBL17844236 0.82 DRD2 (0.44)
SCHEMBL17844244 0.82 MTNR1A (0.40) HTR1AADRA1DADRA1AADRA1BTSHR
SCHEMBL17844178 0.81 DRD4 (0.43) TSHR
SCHEMBL17844246 0.81 HCRTR1 (0.39) ADRA1DADRA1AADRA1BHCRTR1HCRTR2
SCHEMBL17844232 0.80 DRD2 (0.44) ADRA1DADRA1AADRA1B
SCHEMBL17844227 0.80 POLB (0.39) AURKA
SCHEMBL5185121 0.78 GPR84 (0.35)

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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders THE ROCKEFELLER UNIVERSITY (US) 2023-05-16 US disclosed
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS THE ROCKEFELLER UNIVERSITY (US) 2019-01-31 US disclosed
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO 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-11648220-B2 Methods for the treatment of myeloid derived suppressor cells related disorders NR1H3, NR1H2, MCL1 ADORA3 2900/4885ADORA2B 2266/4885ADORA1 2770/4885
US-20190029984-A1 METHODS FOR THE TREATMENT OF MYELOID DERIVED SUPPRESSOR CELLS RELATED DISORDERS NR1H3, NR1H2, MCL1 ADORA3 2900/4885ADORA2B 2266/4885ADORA1 2770/4885

“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.