SCHEMBL3058415

SCHEMBL3058415

O=C(c1nc2c(C(F)(F)F)cc(-c3cccc(O)c3)cn2c1Cl)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.36
MTOR P42345 3/20 0.36
F10 P00742 1/20 0.35
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCD5 Q86SK9 1/20 0.34
USP2 O75604 1/20 0.34
NPY5R Q15761 1/20 0.34
VNN1 O95497 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
P2RX7 Q99572 1/20 0.33
RBP4 P02753 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL3057911 0.92 NPY5R (0.40) F10ALDH1A1SCD5USP2NPY5R
SCHEMBL3053754 0.92 SCD5 (0.39) F10SCD5USP2NPY5RVNN1
SCHEMBL3053749 0.91 F10 (0.36) F10ALDH1A1SCD5USP2NPY5R
SCHEMBL3066293 0.89 NPC1 (0.37) F10NPC1RAB9AALDH1A1TP53
SCHEMBL3068347 0.88 PIK3CA (0.37) PIK3CAMTORF10SCD5USP2
SCHEMBL3071150 0.88 F10 (0.36) F10SCD5USP2NPY5RVNN1
SCHEMBL3071106 0.88 HSD11B1 (0.39) F10RAB9AALDH1A1SMN1; SMN2NPY5R
SCHEMBL3066363 0.88 RBP4 (0.36) F10NPC1RAB9AALDH1A1TP53
SCHEMBL3057907 0.87 F10 (0.36) F10SCD5USP2NPY5RVNN1
SCHEMBL3068238 0.86 F10 (0.35) F10SCD5USP2NPY5RVNN1

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 PIK3CA 1228/4885MTOR 1935/4885F10 2944/4885

“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.