SCHEMBL26501314

SCHEMBL26501314

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 11/20 0.42
HRH1 P35367 11/20 0.42
HTR1A P08908 4/20 0.41
HTR7 P34969 3/20 0.41
DRD2 P14416 3/20 0.39
PAOX Q6QHF9 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL26501256 0.92 HRH2 (0.39) HRH2HRH1DRD2
SCHEMBL26501254 0.88 GAA (0.37) HRH2HRH1DRD2
SCHEMBL26504879 0.82 HRH2 (0.38) HRH2HRH1DRD2
SCHEMBL24429247 0.78 TP53 (0.38) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL26700936 0.77 HTR1A (0.38) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL26501318 0.77 GNAI3 (0.36) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL26501320 0.77 GNAI3 (0.36) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL26700934 0.77 HRH2 (0.40) HRH2HRH1HTR1AHTR7DRD2
SCHEMBL26501230 0.76 SIGMAR1 (0.39) HRH2HRH1DRD2SIGMAR1
SCHEMBL23735638 0.74 L3MBTL1 (0.56)

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 2655/4885HTR1A 4793/4885

“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.