SCHEMBL23664600

SCHEMBL23664600

CC(C)(C)N[C@H]1CCN(CCOC(C)(C)Cc2nc(N3CCN(CCOC(C)(C)C)CC3)cnc2C(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.35
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1I Q9P0X4 1/20 0.32
▸ HRH3 Q9Y5N1 3/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD3 P35462 1/20 0.31

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
SCHEMBL21673570 0.78 HRH3 (0.35) RETHRH3DRD2DRD3
SCHEMBL18591812 0.73 KCNH2 (0.38) KCNH2CACNA1IHRH3DRD2
SCHEMBL21664554 0.70 HRH3 (0.35) HRH3DRD2DRD3
SCHEMBL20325412 0.69 HRH4 (0.36) RETHRH3DRD2DRD3
SCHEMBL18591842 0.68 KCNH2 (0.42) KCNH2CACNA1I
SCHEMBL19959012 0.65 HRH3 (0.46) RETHRH3DRD2DRD3
SCHEMBL24654470 0.64 RET (0.45) RETHRH3DRD2DRD3
SCHEMBL21899148 0.64 RET (0.46) RETHRH3DRD2DRD3
SCHEMBL21215059 0.62 KDM1A (0.41) KCNH2HRH3
SCHEMBL24654347 0.62 RET (0.43) RETHRH3DRD2DRD3

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-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-07-22 — — 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-20210220475-A1 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE TBK1, EGFR, CBL RET 113/4885KCNH2 4851/4885CACNA1I 4761/4885

“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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