SCHEMBL21673748

SCHEMBL21673748

CC(C)(C)CCCOCCc1ccc(N2CCN(C(C)(C)C)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.38
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ME2 P23368 3/20 0.36
▸ ME1 P48163 3/20 0.36
▸ ME3 Q16798 3/20 0.36
▸ DRD3 P35462 4/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ HTR1A P08908 3/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ HTR2A P28223 3/20 0.35
▸ DRD1 P21728 2/20 0.35
▸ DRD5 P21918 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR7 P34969 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ PANK3 Q9H999 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ SMO Q99835 1/20 0.32

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
SCHEMBL21421553 0.86 AOC3 (0.37) AOC3HRH3ME2ME1ME3
SCHEMBL21673531 0.78 DRD3 (0.44) HRH3DRD3DRD2HTR1ADRD4
SCHEMBL3980082 0.77 AOC3 (0.46) AOC3ME2ME1ME3DRD3
SCHEMBL21934609 0.77 CYP11B1 (0.41) AOC3ME2ME1ME3DRD3
SCHEMBL24422208 0.74 SMO (0.49) AOC3HRH3ME2ME1ME3
SCHEMBL25608428 0.73 HRH3 (0.47) AOC3HRH3ME2ME1ME3
SCHEMBL20128867 0.73 DRD3 (0.48) HRH3DRD3DRD2HTR1ADRD4
SCHEMBL21673537 0.73 AOC3 (0.35) AOC3HRH3ME2ME1ME3
SCHEMBL21455986 0.72 HRH3 (0.47) HRH3
SCHEMBL29562890 0.70 AOC3 (0.47) AOC3ME2ME1ME3PANK3

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-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2020-02-06 — — 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-20200038378-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL AOC3 4094/4885HRH3 3459/4885ME2 1830/4885

“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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