SCHEMBL26501252

SCHEMBL26501252

CC(C)CC(=O)N1CCN(C(=O)C2CCN(CCCOC(C)C)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 8/20 0.42
HRH1 P35367 8/20 0.42
POLB P06746 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL26501286 0.92 HRH2 (0.37) HRH2HRH1PTPN1ALDH1A1USP2
SCHEMBL26504882 0.91 HRH2 (0.41) HRH2HRH1POLBNPSR1L3MBTL1
SCHEMBL26501262 0.84 HRH2 (0.44) HRH2HRH1ALDH1A1USP2HRH3
SCHEMBL24918192 0.79 HSD11B1 (0.58) POLBNPSR1L3MBTL1PTPN1ALDH1A1
SCHEMBL22030326 0.77 HTT (0.53) POLBNPSR1L3MBTL1PTPN1ALDH1A1
SCHEMBL20739188 0.77 HRH3 (0.48) HRH2HRH1ALDH1A1HRH3CYP3A4
SCHEMBL24918398 0.74 HRH3 (0.51) POLBNPSR1L3MBTL1PTPN1ALDH1A1
SCHEMBL26745665 0.74 HRH2 (0.47) HRH2HRH1L3MBTL1ALDH1A1USP2
SCHEMBL25492957 0.74 HRH3 (0.44) HRH2HRH1ALDH1A1HRH3
SCHEMBL27364367 0.73 HRH2 (0.42) HRH2HRH1ALDH1A1USP2SMN1; SMN2

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 2655/4885POLB 2030/4885

“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.