SCHEMBL26501286

SCHEMBL26501286

CC(C)CC(=O)N1CCC2(CC1)CCN(C(=O)C1CCN(CCCOC(C)C)CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
BLM P54132 1/20 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
SCHEMBL26501252 0.92 HRH2 (0.42) HRH2HRH1PTPN1ALDH1A1CYP3A4
SCHEMBL26504882 0.83 HRH2 (0.41) HRH2HRH1PTPN1ALDH1A1USP2
SCHEMBL26501262 0.79 HRH2 (0.44) HRH2HRH1ALDH1A1CYP3A4USP2
SCHEMBL26511248 0.77 HRH2 (0.41) HRH2HRH1ITGB3ITGA2BALDH1A1
SCHEMBL20739188 0.73 HRH3 (0.48) HRH2HRH1ALDH1A1CYP3A4TSHR
SCHEMBL27381769 0.72 POLB (0.55) ALDH1A1CYP3A4CYP2D6
SCHEMBL24918192 0.72 HSD11B1 (0.58) PTPN1ALDH1A1
SCHEMBL22030326 0.70 HTT (0.53) PTPN1ALDH1A1TSHRLMNA
SCHEMBL25876507 0.70 POLB (0.44) PTPN1ALDH1A1CYP3A4CYP2D6
SCHEMBL25870571 0.70 POLB (0.41) PTPN1ALDH1A1CYP3A4CYP2D6

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 HRH2 3216/4885HRH1 2655/4885ITGB3 3891/4885

“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.