SCHEMBL21421553

SCHEMBL21421553

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.37
▸ ME2 P23368 3/20 0.35
▸ ME1 P48163 3/20 0.35
▸ ME3 Q16798 3/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ DRD1 P21728 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD5 P21918 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ RORC P51449 3/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ GPR119 Q8TDV5 2/20 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
SCHEMBL21673748 0.86 AOC3 (0.38) AOC3ME2ME1ME3HRH3
SCHEMBL21455986 0.86 HRH3 (0.47) HRH3
SCHEMBL25608428 0.76 HRH3 (0.47) AOC3ME2ME1ME3HRH3
SCHEMBL3980082 0.76 AOC3 (0.46) AOC3ME2ME1ME3DRD2
SCHEMBL21421582 0.73 HRH3 (0.49) HRH3ALDH1A1DRD2DRD3DRD1
SCHEMBL24422208 0.73 SMO (0.49) AOC3ME2ME1ME3HRH3
SCHEMBL21934609 0.73 CYP11B1 (0.41) AOC3ME2ME1ME3ALDH1A1
SCHEMBL25638011 0.71 DRD3 (0.48) HRH3ALDH1A1DRD2DRD3HTR1A
SCHEMBL21673537 0.71 AOC3 (0.35) AOC3ME2ME1ME3HRH3
SCHEMBL19001135 0.69 OGA (0.44) PANK3OGA

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-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE GENENTECH, INC. 2019-10-03 — — 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-20190300521-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ADRM1, BRAP, VHL AOC3 4094/4885ME2 1830/4885ME1 3691/4885

“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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