SCHEMBL3069404

SCHEMBL3069404

O=C(c1nc2c(C(F)(F)F)cc(-c3cn[nH]n3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
NOTUM Q6P988 2/20 0.35
AKR1C3 P42330 3/20 0.34
F10 P00742 1/20 0.33
NPY5R Q15761 1/20 0.32
RBP4 P02753 2/20 0.32
PIK3CD O00329 2/20 0.31
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
USP2 O75604 1/20 0.30
HSD11B1 P28845 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
SCHEMBL3063721 0.88 PIK3CD (0.37) VNN1F10PIK3CD
SCHEMBL3053754 0.85 SCD5 (0.39) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3061546 0.84 F10 (0.40) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3075072 0.84 RET (0.41) VNN1F10NPY5RPIK3CD
SCHEMBL3053749 0.84 F10 (0.36) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3061542 0.84 F10 (0.35) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3071150 0.84 F10 (0.36) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3071106 0.84 HSD11B1 (0.39) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3066215 0.84 F10 (0.35) VNN1F10NPY5RRBP4TRPV1
SCHEMBL3074557 0.83 F10 (0.36) VNN1F10NPY5RRBP4TRPV1

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 VNN1 1145/4885NOTUM 3110/4885AKR1C3 3009/4885

“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.