SCHEMBL3057907

SCHEMBL3057907

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.36
VNN1 O95497 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
NPY5R Q15761 1/20 0.33
TYRO3 Q06418 2/20 0.32
MERTK Q12866 2/20 0.32
RBP4 P02753 4/20 0.31
RORC P51449 1/20 0.31
USP2 O75604 2/20 0.31
SCD5 Q86SK9 1/20 0.31
EPHX2 P34913 1/20 0.31
HSD11B1 P28845 1/20 0.31
ERN1 O75460 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
PKM P14618 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
SCHEMBL13090302 0.94 F10 (0.31) F10TRPV1NPY5RUSP2
SCHEMBL3063954 0.91 VNN1 (0.35) F10VNN1NPY5RTYRO3MERTK
SCHEMBL3063951 0.91 VNN1 (0.34) F10VNN1NPY5RTYRO3MERTK
SCHEMBL3063831 0.90 ERN1 (0.35) F10VNN1NPY5RTYRO3MERTK
SCHEMBL3068892 0.90 F10 (0.33) F10VNN1NPY5RTYRO3MERTK
SCHEMBL3076055 0.90 VNN1 (0.32) VNN1TRPV1TYRO3MERTKUSP2
SCHEMBL3069151 0.90 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1
SCHEMBL3064181 0.90 VNN1 (0.32) VNN1TRPV1TYRO3MERTKUSP2
SCHEMBL3064187 0.90 VNN1 (0.32) VNN1TRPV1TYRO3MERTKUSP2
SCHEMBL3069145 0.90 TRPV1 (0.33) VNN1TRPV1TYRO3MERTKERN1

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 F10 2944/4885VNN1 1145/4885TRPV1 1739/4885

“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.