SCHEMBL7056005

SCHEMBL7056005

CC(C)(C)OC(=O)Oc1ccc2c(c1)CCC(C(C(=O)C1CCCCC1)N1CCN(c3cccc4[nH]ccc34)CC1)N2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GOT1 P17174 10/20 0.37
▸ DRD2 P14416 6/20 0.36
▸ GAA P10253 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTR1A P08908 5/20 0.35
▸ RECQL P46063 1/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ HTR6 P50406 4/20 0.33
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL6194131 0.90 GOT1 (0.45) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6193616 0.88 GOT1 (0.47) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6193059 0.86 GOT1 (0.42) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6195569 0.85 GAA (0.42) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6194462 0.85 GOT1 (0.43) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6194514 0.85 HTR1A (0.42) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6192688 0.85 GAA (0.44) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6195490 0.84 GOT1 (0.46) GOT1DRD2GAAMAPTRECQL
SCHEMBL6193551 0.84 GAA (0.42) GOT1DRD2GAAMAPTHTR1A
SCHEMBL6194505 0.84 GAA (0.42) GOT1DRD2GAAMAPTHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 — — 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 (2 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E GOT1 2108/4885DRD2 163/4885GAA 4060/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C GOT1 1499/4885DRD2 85/4885GAA 3749/4885

“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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