SCHEMBL26501254

SCHEMBL26501254

CC(C)OCCCN1CCN(CC(=O)N2CCN(C(=O)CC(C)(C)C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HRH2 P25021 13/20 0.36
HRH1 P35367 13/20 0.36
DRD2 P14416 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL26501256 0.95 HRH2 (0.39) HRH2HRH1DRD2HRH3
SCHEMBL26501314 0.88 HRH2 (0.42) HRH2HRH1DRD2
SCHEMBL26743342 0.85 HRH2 (0.40) GAAHRH2HRH1DRD2ALOX15
SCHEMBL26742004 0.84 GAA (0.39) GAAHRH2HRH1DRD2ALOX15
SCHEMBL26504879 0.84 HRH2 (0.38) HRH2HRH1DRD2HRH3
SCHEMBL26501255 0.78 ALDH1A1 (0.39) GAAHRH2HRH1DRD2ALOX15
SCHEMBL26501230 0.78 SIGMAR1 (0.39) HRH2HRH1DRD2
SCHEMBL26746316 0.77 GAA (0.42) GAAALOX15TSHRHSD17B10ALDH1A1
SCHEMBL470994 0.76 EPHX2 (0.44) HRH2HRH1ALDH1A1
SCHEMBL26742006 0.76 GAA (0.41) GAAALOX15TSHRHSD17B10HRH3

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS GAA 1149/4885HRH2 3216/4885HRH1 2655/4885

“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.