SCHEMBL6239026

SCHEMBL6239026

CC(C)(C)OC(=O)NCCCc1ccc(C(=O)NCCC2COc3ccc(C(=N)NC(=O)OC(C)(C)C)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.39
DGAT1 O75907 1/20 0.37
PTGDR2 Q9Y5Y4 5/20 0.37
NR1H2 P55055 1/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2C P28335 1/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ROCK2 O75116 1/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL6217888 0.90 CD274 (0.37) DGAT1PTGDR2NR1H2HTR1AHTR1D
SCHEMBL6242842 0.88 HTR1A (0.40) ESRRGDGAT1PTGDR2HTR1AHTR1D
SCHEMBL6213925 0.87 HTR1A (0.38) DGAT1PTGDR2HTR1AHTR1DHTR2C
SCHEMBL6215027 0.85 CHRM4 (0.41) DGAT1PTGDR2DRD2DRD3CA1
SCHEMBL6217081 0.85 HTR1A (0.37) ESRRGDGAT1PTGDR2HTR1AHTR1D
SCHEMBL6212619 0.83 CHRM4 (0.46) HDAC2HDAC8HDAC6
SCHEMBL6216818 0.81 NPC1 (0.41) HTR1AHTR1DHTR2CRAB9ANPC1
SCHEMBL6212414 0.81 HTR1A (0.38) DGAT1HTR1AHTR1DHTR2C
SCHEMBL7383942 0.81 HTR1A (0.37) DGAT1HTR1AHTR1DHTR2CROCK2
SCHEMBL6213248 0.80 HPGD (0.40) HTR1AHTR1DHTR2CSMN1; SMN2MAPT

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
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 ESRRG 4261/4885DGAT1 4463/4885PTGDR2 901/4885

“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.