SCHEMBL3066293

SCHEMBL3066293

COc1cccc(-c2cc(C(F)(F)F)c3nc(C(=O)N4CCC(N5CCOC5=O)CC4)c(Cl)n3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
RBP4 P02753 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 4/20 0.36
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MGLL Q99685 1/20 0.36
MAPK1 P28482 1/20 0.36
S1PR1 P21453 1/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL3072450 0.92 ALDH1A1 (0.42) NPC1RAB9ARBP4ALDH1A1GAA
SCHEMBL3058415 0.89 PIK3CA (0.36) NPC1RAB9ARBP4ALDH1A1HPGD
SCHEMBL3057911 0.89 NPY5R (0.40) RBP4ALDH1A1MGLLF10GRM5
SCHEMBL3053754 0.89 SCD5 (0.39) RBP4MGLLF10
SCHEMBL3063666 0.88 F10 (0.37) RBP4ALDH1A1GAACASP1CASP7
SCHEMBL3077029 0.87 S1PR1 (0.41) NPC1RAB9ARBP4ALDH1A1HPGD
SCHEMBL3068347 0.86 PIK3CA (0.37) RBP4F10HTT
SCHEMBL3071150 0.85 F10 (0.36) RBP4F10
SCHEMBL3053749 0.85 F10 (0.36) RBP4ALDH1A1GAACASP1CASP7
SCHEMBL3071106 0.85 HSD11B1 (0.39) RAB9ARBP4ALDH1A1HPGDTSHR

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 NPC1 462/4885RAB9A 577/4885RBP4 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.