SCHEMBL3058447

SCHEMBL3058447

O=C(c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1Cl)N1CCC(N2CCCC2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.36
ENPP2 Q13822 2/20 0.36
SYK P43405 6/20 0.35
P2RX7 Q99572 1/20 0.35
F10 P00742 3/20 0.34
TRPV1 Q8NER1 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
VNN1 O95497 1/20 0.33
RBP4 P02753 1/20 0.33
KDM5A P29375 1/20 0.33
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL3785019 0.98 ENPP2 (0.37) IRAK4ENPP2SYKP2RX7F10
SCHEMBL13256101 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3064208 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3063495 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3063492 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3064213 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3063490 0.90 TRPV1 (0.33) TRPV1KDM5ATYRO3MERTK
SCHEMBL3064728 0.90 TRPV1 (0.35) TRPV1RBP4TYRO3MERTK
SCHEMBL1584564 0.88 P2RX7 (0.47) IRAK4P2RX7TRPV1RBP4TYRO3
SCHEMBL1583038 0.88 P2RX7 (0.49) IRAK4P2RX7TRPV1TYRO3MERTK

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 7 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
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 IRAK4 2506/4885ENPP2 3406/4885SYK 4623/4885

“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.