SCHEMBL3059016

SCHEMBL3059016

C[C@@H]1OC(=O)N(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(Br)cn4c3Cl)CC2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.32
TRPV1 Q8NER1 1/20 0.32
RBP4 P02753 3/20 0.31
HSD11B1 P28845 1/20 0.31
THRB P10828 1/20 0.30
HDAC4 P56524 1/20 0.30

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
SCHEMBL3075887 1.00 RORC (0.32) RORCTRPV1RBP4HSD11B1THRB
SCHEMBL3063699 0.89 RBP4 (0.33) RORCTRPV1RBP4HSD11B1
SCHEMBL3071056 0.89 RBP4 (0.33) RORCTRPV1RBP4HSD11B1
SCHEMBL3075488 0.85 TYRO3 (0.33) RORCTRPV1RBP4HDAC4
SCHEMBL3183940 0.85 TYRO3 (0.33) RORCTRPV1RBP4HDAC4
SCHEMBL3067818 0.85 TYRO3 (0.33) RORCTRPV1RBP4HDAC4
SCHEMBL3074543 0.84 OXTR (0.33) TRPV1RBP4HSD11B1
SCHEMBL3058815 0.82 F10 (0.37) RORCTRPV1RBP4HSD11B1
SCHEMBL3075890 0.79 IRAK4 (0.38) RBP4HSD11B1
SCHEMBL3068198 0.76 TRPV1 (0.32) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US claimed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO claimed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 WO 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 RORC 1748/4885TRPV1 1739/4885RBP4 2908/4885

“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.