SCHEMBL23664607

SCHEMBL23664607

CC(C)NCc1ccc(N2CCN(CCOCC(C)(C)C)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.40
▸ DRD4 P21917 9/20 0.39
▸ HRH3 Q9Y5N1 4/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ DRD2 P14416 8/20 0.38
▸ HTR2A P28223 3/20 0.38
▸ HTR2C P28335 3/20 0.38
▸ HTR2B P41595 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL18591747 0.85 DRD4 (0.41) NCF1DRD4HRH3HRH1DRD2
SCHEMBL23664608 0.81 HRH3 (0.41) HRH3HRH1DRD2
SCHEMBL23664609 0.81 SMN1; SMN2 (0.45) ALDH1A1GAAMAPTHSD17B10
SCHEMBL18591772 0.79 SLC6A2 (0.40) DRD4HRH3HRH1DRD2HTR2A
SCHEMBL20325157 0.76 HRH3 (0.54) DRD4HRH3DRD2ALDH1A1MAPT
SCHEMBL14438329 0.76 NCF1 (0.65) NCF1ALDH1A1GAAMAPT
SCHEMBL22419324 0.74 POLB (0.43) NCF1DRD4HRH3HRH1DRD2
SCHEMBL2238765 0.73 NCF1 (0.51) NCF1ALDH1A1GAAMAPTHSD17B10
SCHEMBL8351016 0.72 DRD2 (0.44) DRD4HRH3HRH1DRD2HTR2A
SCHEMBL26972342 0.71 GBA2 (0.36) ALDH1A1HSD17B10

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 NCF1 1994/4885DRD4 4462/4885HRH3 3301/4885

“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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