SCHEMBL3064181

SCHEMBL3064181

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCOC2=O)C(F)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
USP2 O75604 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
HSD11B1 P28845 1/20 0.30
ERN1 O75460 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
SCHEMBL3064187 1.00 VNN1 (0.32) VNN1TRPV1USP2TYRO3MERTK
SCHEMBL3076055 1.00 VNN1 (0.32) VNN1TRPV1USP2TYRO3MERTK
SCHEMBL3064184 1.00 VNN1 (0.32) VNN1TRPV1USP2TYRO3MERTK
SCHEMBL3068177 1.00 VNN1 (0.32) VNN1TRPV1USP2TYRO3MERTK
SCHEMBL3069151 0.93 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1
SCHEMBL3069145 0.93 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1
SCHEMBL13256743 0.93 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1
SCHEMBL3069148 0.93 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1
SCHEMBL13090383 0.92 VNN1 (0.32) VNN1TRPV1TYRO3MERTK
SCHEMBL13090384 0.92 VNN1 (0.32) VNN1TRPV1TYRO3MERTK

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
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

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 1145/4885TRPV1 1739/4885USP2 3640/4885

“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.