SCHEMBL26042836

SCHEMBL26042836

CN1CCN(CCCCC(=O)N2CCN(C3CCCCC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ PAOX Q6QHF9 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HSD11B1 P28845 1/20 0.45
▸ GNAI3 P08754 2/20 0.44
▸ GNAO1 P09471 2/20 0.44
▸ GNAI1 P63096 2/20 0.44

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
SCHEMBL25952563 0.92 PAOX (0.50) ALDH1A1GAAPAOXHTR1AHTR7
SCHEMBL24352087 0.85 GNAI3 (0.49) ALDH1A1PAOXHTR1AHTR7HSD11B1
SCHEMBL26005366 0.85 GNAI3 (0.46) ALDH1A1GAAPAOXHTR1AHTR7
SCHEMBL27342066 0.83 NPC1 (0.53) ALDH1A1PAOXKMT2APOLBHRH3
SCHEMBL26042830 0.82 SIGMAR1 (0.52) HRH3
SCHEMBL24352368 0.82 GNAI3 (0.45) ALDH1A1GAAPAOXHTR1AHTR7
SCHEMBL3766167 0.81 SIGMAR1 (0.50) ALDH1A1GAAKMT2ATSHRPOLB
SCHEMBL24204316 0.81 L3MBTL3 (0.47) ALDH1A1KMT2ATSHRPOLBMAPT
SCHEMBL4382097 0.77 KMT2A (0.59) ALDH1A1KMT2ATSHRMAPTHRH3
SCHEMBL4382883 0.77 KMT2A (0.59) ALDH1A1KMT2ATSHRMAPTHRH3

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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BEONE MEDICINES I GMBH (CH) 2023-08-24 — — 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-20230265116-A1 DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE EGFR, CBL, ERBB2 ALDH1A1 3281/4885GAA 1842/4885PAOX 2617/4885

“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.

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