SCHEMBL6212748

SCHEMBL6212748

CC(C)(C)OC(=O)NC(=N)c1ccc2c(c1)C(CCNC(=O)CCCCCCCCCC#N)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2C P28335 1/20 0.36
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
ACHE P22303 2/20 0.32
CYP3A4 P08684 1/20 0.32
NQO2 P16083 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
BCHE P06276 1/20 0.31
MIF P14174 1/20 0.30
GLS O94925 1/20 0.30
DRD2 P14416 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 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
SCHEMBL2639713 0.84 HTR1A (0.46) HTR1AHTR1DHTR2CMTNR1AMTNR1B
SCHEMBL6242842 0.81 HTR1A (0.40) HTR1AHTR1DHTR2CDRD2
SCHEMBL6211414 0.79 HTR1A (0.58) HTR1AHTR1DHTR2C
SCHEMBL6212414 0.79 HTR1A (0.38) HTR1AHTR1DHTR2CMTNR1AMTNR1B
SCHEMBL6214922 0.79 HTR1A (0.38) HTR1AHTR1DHTR2C
SCHEMBL6239026 0.78 ESRRG (0.39) HTR1AHTR1DHTR2CCA1CA2
SCHEMBL6213925 0.78 HTR1A (0.38) HTR1AHTR1DHTR2CMTNR1AMTNR1B
SCHEMBL6215027 0.77 CHRM4 (0.41) CA1CA2DRD2
SCHEMBL7221563 0.77 HPGD (0.46) CYP3A4
SCHEMBL6217081 0.77 HTR1A (0.37) HTR1AHTR1DHTR2CMTNR1AMTNR1B

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 HTR1A 1462/4885HTR1D 2054/4885HTR2C 1530/4885

“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.