SCHEMBL3076986

SCHEMBL3076986

O=C(c1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.39
VNN1 O95497 1/20 0.35
SCD5 Q86SK9 2/20 0.33
NPY5R Q15761 1/20 0.33
F10 P00742 1/20 0.33
KDM5A P29375 1/20 0.32
ERN1 O75460 1/20 0.32
RIPK1 Q13546 1/20 0.31
MCHR1 Q99705 1/20 0.31
SCN9A Q15858 2/20 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
SCHEMBL3057907 0.84 F10 (0.36) RBP4VNN1SCD5NPY5RF10
SCHEMBL3063951 0.83 VNN1 (0.34) VNN1SCD5NPY5RF10ERN1
SCHEMBL3063954 0.83 VNN1 (0.35) VNN1NPY5RF10KDM5AERN1
SCHEMBL3068892 0.82 F10 (0.33) RBP4VNN1NPY5RF10
SCHEMBL3063831 0.82 ERN1 (0.35) VNN1NPY5RF10ERN1MCHR1
SCHEMBL3059079 0.81 RBP4 (0.37) RBP4VNN1SCD5NPY5RF10
SCHEMBL3074119 0.81 RET (0.33) RBP4VNN1NPY5RF10
SCHEMBL3074607 0.81 KDM5A (0.34) VNN1NPY5RF10KDM5AMCHR1
SCHEMBL1583457 0.81 P2RX7 (0.46) RBP4KDM5AERN1SCN9A
SCHEMBL3064153 0.81 VNN1 (0.34) VNN1NPY5RF10

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
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
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 RBP4 2908/4885VNN1 1145/4885SCD5 3866/4885

“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.