SCHEMBL3068374

SCHEMBL3068374

O=C(c1nc2c(C(F)(F)F)cc(Br)cn2c1Cl)N1CC[C@@H](N2CCOC2=O)[C@@H](O)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.32
VNN1 O95497 1/20 0.31
RBP4 P02753 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
SCHEMBL3068886 1.00 TRPV1 (0.32) TRPV1VNN1RBP4
SCHEMBL3068373 1.00 TRPV1 (0.32) TRPV1VNN1RBP4
SCHEMBL3068883 1.00 TRPV1 (0.32) TRPV1VNN1RBP4
SCHEMBL3068379 1.00 TRPV1 (0.32) TRPV1VNN1RBP4
SCHEMBL3066674 0.90 SCD5 (0.32) TRPV1VNN1RBP4
SCHEMBL3074112 0.90 SCD5 (0.32) TRPV1VNN1RBP4
SCHEMBL3066679 0.90 SCD5 (0.32) TRPV1VNN1RBP4
SCHEMBL13256742 0.90 SCD5 (0.32) TRPV1VNN1RBP4
SCHEMBL3066672 0.90 SCD5 (0.32) TRPV1VNN1RBP4
SCHEMBL13256012 0.90 SCD5 (0.32) TRPV1VNN1RBP4

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 3 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
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 TRPV1 1739/4885VNN1 1145/4885RBP4 2908/4885

“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.