SCHEMBL3075353

SCHEMBL3075353

C[C@H]1CN(C2CCN(C(=O)c3nc4c(C(F)(F)F)cc(-c5ccoc5)cn4c3Cl)CC2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.37
NPY5R Q15761 2/20 0.34
TYRO3 Q06418 2/20 0.33
MERTK Q12866 2/20 0.33
CCR8 P51685 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
RBP4 P02753 5/20 0.32
SCD5 Q86SK9 1/20 0.31
HDAC4 P56524 1/20 0.31
KDM5A P29375 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3076897 1.00 VNN1 (0.37) VNN1NPY5RTYRO3MERTKCCR8
SCHEMBL3057907 0.87 F10 (0.36) VNN1NPY5RTYRO3MERTKTRPV1
SCHEMBL3183940 0.86 TYRO3 (0.33) TYRO3MERTKTRPV1RBP4HDAC4
SCHEMBL3067818 0.86 TYRO3 (0.33) TYRO3MERTKTRPV1RBP4HDAC4
SCHEMBL3075488 0.86 TYRO3 (0.33) TYRO3MERTKTRPV1RBP4HDAC4
SCHEMBL3058409 0.86 SYK (0.37) NPY5RTYRO3MERTKTRPV1RBP4
SCHEMBL3061568 0.86 MCHR1 (0.33) TYRO3MERTKTRPV1HDAC4
SCHEMBL3063651 0.85 F10 (0.34) NPY5RTYRO3MERTKTRPV1RBP4
SCHEMBL3058447 0.85 IRAK4 (0.36) VNN1TYRO3MERTKTRPV1RBP4
SCHEMBL3076157 0.85 TYRO3 (0.34) TYRO3MERTKTRPV1RBP4HDAC4

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 VNN1 1145/4885NPY5R 4671/4885TYRO3 3671/4885

“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.