SCHEMBL12533226

SCHEMBL12533226

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(CO)CC3)CC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.43
▸ TBK1 Q9UHD2 8/20 0.42
▸ CYP3A4 P08684 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ IGF1R P08069 1/20 0.41

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
SCHEMBL12533228 0.89 ACKR3 (0.42) ACKR3TBK1CYP3A4KDM4EPOLB
SCHEMBL13391102 0.86 ACKR3 (0.51) ACKR3
SCHEMBL13390971 0.85 ACKR3 (0.42) ACKR3TBK1CYP3A4
SCHEMBL13391231 0.85 ACKR3 (0.46) ACKR3TBK1CYP3A4KDM4E
SCHEMBL12533225 0.85 ACKR3 (0.48) ACKR3TBK1IGF1R
SCHEMBL13060396 0.85 ACKR3 (0.45) ACKR3TBK1
SCHEMBL13391112 0.85 ACKR3 (0.49) ACKR3TBK1CYP3A4KDM4E
SCHEMBL8225788 0.83 GSK3B (0.47) TBK1CYP3A4KDM4EPOLB
SCHEMBL13391316 0.83 ACKR3 (0.48) ACKR3TBK1
SCHEMBL13409718 0.83 ACKR3 (0.48) ACKR3TBK1

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-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 — — 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-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use GPR119, OXER1, INSR ACKR3 801/4885TBK1 3752/4885CYP3A4 146/4885

“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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