SCHEMBL12533192

SCHEMBL12533192

CC(c1ccnc(N)c1)N1CCC(C(=O)N2CCC(N3CCc4ccc(C#N)cc4C3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.55
▸ OGA O60502 2/20 0.40
▸ TBK1 Q9UHD2 5/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ RORC P51449 1/20 0.36

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
SCHEMBL12533195 0.85 HRH3 (0.49) HRH3
SCHEMBL12549962 0.83 HRH3 (0.75) HRH3
SCHEMBL13391005 0.71 ACKR3 (0.47) TBK1
SCHEMBL12549961 0.71 HRH3 (1.00) HRH3
SCHEMBL13003545 0.70 ACKR3 (0.41) TBK1
SCHEMBL13409599 0.70 ACKR3 (0.40) TBK1
SCHEMBL14077861 0.70 ACKR3 (0.45) TBK1
SCHEMBL14078571 0.70 ACKR3 (0.47) TBK1
SCHEMBL14077794 0.70 ACKR3 (0.47) TBK1
SCHEMBL14456969 0.69 TBK1 (0.41) TBK1

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-20110130385-A1 Bicyclic Heterocylic Derivatives and Methods of Use SCHERING CORPORATION 2011-06-02 — — US disclosed
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 HRH3 120/4885OGA 61/4885TBK1 3752/4885

“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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