SCHEMBL4265455

SCHEMBL4265455

C=C1C(=O)C=CC(C)(C)C1N1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.35
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
IDO1 P14902 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
PDE4D Q08499 1/20 0.31
TP53 P04637 1/20 0.30
STAT3 P40763 1/20 0.30
GAA P10253 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
SCHEMBL4273563 0.82 PTGS2 (0.32) PTGS2HTTMAPTNPC1MITF
SCHEMBL4265877 0.75 PTGS2 (0.35) PTGS2HTTMAPTNPC1MITF
SCHEMBL27508710 0.70
SCHEMBL4276874 0.69 PDE4D (0.35) HTTMAPTKMT2AIDO1SMN1; SMN2
SCHEMBL4271418 0.64 PTGS2 (0.36) PTGS2HTTMAPTNPC1MITF
SCHEMBL4265710 0.62 PDE4D (0.38) HTTKMT2AIDO1SMN1; SMN2TSHR
SCHEMBL4269553 0.61 PTGS2 (0.34) PTGS2HTTMAPTNPC1MITF
SCHEMBL4271643 0.61 PTGS2 (0.34) PTGS2HTTMAPTNPC1MITF
SCHEMBL4273097 0.61 PTGS2 (0.34) PTGS2HTTMAPTNPC1MITF
SCHEMBL4264800 0.61 PTGS2 (0.32) PTGS2HTTMAPTNPC1MITF

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 EP 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 (4 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 PTGS2 75/4885HTT 4822/4885MAPT 4875/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 PTGS2 2320/4885HTT 2866/4885MAPT 2607/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 PTGS2 32/4885HTT 4849/4885MAPT 4860/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 PTGS2 58/4885HTT 4840/4885MAPT 4865/4885

“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.