SCHEMBL3073728

SCHEMBL3073728

O=C(c1nc2c(C(F)(F)F)cc(I)cn2c1Br)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
F10 P00742 1/20 0.33
NPY5R Q15761 1/20 0.32
PDE7A Q13946 1/20 0.31
MCHR1 Q99705 1/20 0.31
RBP4 P02753 1/20 0.30
SCD5 Q86SK9 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
SCHEMBL3064598 0.89 VNN1 (0.35) VNN1F10NPY5RPDE7AMCHR1
SCHEMBL3063746 0.85 OXTR (0.34)
SCHEMBL3063951 0.84 VNN1 (0.34) VNN1F10NPY5RSCD5
SCHEMBL3058815 0.83 F10 (0.37) VNN1F10NPY5RPDE7AMCHR1
SCHEMBL3061546 0.81 F10 (0.40) VNN1F10NPY5RPDE7ARBP4
SCHEMBL1583956 0.80 P2RX7 (0.48)
SCHEMBL3063342 0.80 VNN1 (0.37) VNN1F10NPY5RPDE7AMCHR1
SCHEMBL3063817 0.80 F10 (0.39) VNN1F10NPY5RPDE7AMCHR1
SCHEMBL3063666 0.79 F10 (0.37) VNN1F10PDE7AMCHR1RBP4
SCHEMBL3071149 0.79 F10 (0.37) VNN1F10NPY5RPDE7AMCHR1

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 5 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
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 1145/4885F10 2944/4885NPY5R 4671/4885

“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.