SCHEMBL3064728

SCHEMBL3064728

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2C(=O)CCC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
TYRO3 Q06418 2/20 0.33
MERTK Q12866 2/20 0.33
RBP4 P02753 3/20 0.33
SCD5 Q86SK9 1/20 0.32
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
ERN1 O75460 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL3067492 0.90 OXTR (0.33) TRPV1TYRO3MERTKRBP4
SCHEMBL3069585 0.90 TRPV1 (0.33) TRPV1TYRO3MERTKRBP4SCD5
SCHEMBL3058447 0.90 IRAK4 (0.36) TRPV1TYRO3MERTKRBP4
SCHEMBL3785019 0.89 ENPP2 (0.37) TRPV1TYRO3MERTKRBP4
SCHEMBL3791014 0.88 L3MBTL3 (0.39) TRPV1
SCHEMBL3075488 0.87 TYRO3 (0.33) TRPV1TYRO3MERTKRBP4HDAC4
SCHEMBL3067818 0.87 TYRO3 (0.33) TRPV1TYRO3MERTKRBP4HDAC4
SCHEMBL3183940 0.87 TYRO3 (0.33) TRPV1TYRO3MERTKRBP4HDAC4
SCHEMBL3793710 0.87 KDM1A (0.38) TRPV1TYRO3MERTKRBP4SCD5
SCHEMBL13090304 0.87 RBP4 (0.35) TRPV1TYRO3MERTKRBP4SCD5

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 TRPV1 1739/4885TYRO3 3671/4885MERTK 2693/4885

“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.