SCHEMBL30828740

SCHEMBL30828740

CO[C@@H]1CNCC[C@@H]1N(C)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.53
HTR2C P28335 1/20 0.43
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
REN P00797 2/20 0.41
HTR2A P28223 4/20 0.41
TSHR P16473 1/20 0.40
CHRM3 P20309 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CYP2D6 P10635 4/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL30828762 1.00 SIGMAR1 (0.53) SIGMAR1HTR2CITGB3ITGA2BREN
SCHEMBL15251341 0.86 HTR2A (0.52) SIGMAR1HTR2CHTR2ATSHRCHRM3
SCHEMBL15251340 0.86 HTR2A (0.52) SIGMAR1HTR2CHTR2ATSHRCHRM3
SCHEMBL30828745 0.85 SIGMAR1 (0.54) SIGMAR1HTR2CITGB3ITGA2BREN
SCHEMBL30828771 0.85 SIGMAR1 (0.54) SIGMAR1HTR2CITGB3ITGA2BREN
SCHEMBL30828775 0.85 SIGMAR1 (0.54) SIGMAR1HTR2CITGB3ITGA2BREN
SCHEMBL30828750 0.85 SIGMAR1 (0.54) SIGMAR1HTR2CITGB3ITGA2BREN
Hydrochloric Acid SCHEMBL30828780 0.84 SIGMAR1 (0.53) SIGMAR1HTR2CITGB3ITGA2BREN
Hydrochloric Acid SCHEMBL31533700 0.84 SIGMAR1 (0.53) SIGMAR1HTR2CITGB3ITGA2BREN
Hydrochloric Acid SCHEMBL30828783 0.84 SIGMAR1 (0.53) SIGMAR1HTR2CITGB3ITGA2BREN

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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2024-04-11 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-20240116892-A1 HETEROCYCLIC AMIDE AND UREA COMPOUNDS AS JAK2 INHIBITORS JAK2, JAK1, JAK3 SIGMAR1 2217/4885HTR2C 2446/4885ITGB3 4501/4885

“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.