SCHEMBL6213310

SCHEMBL6213310

CC(C)(C)OC(=O)NC(=N)c1ccc2c(c1)C(CCNC(=O)c1ccccc1Nc1ccccc1)CO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.37
MT-CO2 P00403 2/20 0.36
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
PTGS1 P23219 5/20 0.35
PTGS2 P35354 5/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
TBXAS1 P24557 1/20 0.33
CXCR2 P25025 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
SCHEMBL6216526 0.86 TBXA2R (0.42) TBXA2RHTR1AHTR1DHTR2CALDH1A1
SCHEMBL6213248 0.86 HPGD (0.40) TBXA2RHTR1AHTR1DHTR2CALDH1A1
SCHEMBL6215027 0.84 CHRM4 (0.41) TBXA2R
SCHEMBL2639560 0.84 HTR1A (0.45) TBXA2RMT-CO2LMNAHTR1AHTR1D
SCHEMBL6242842 0.83 HTR1A (0.40) TBXA2RLMNAHTR1AHTR1DHTR2C
SCHEMBL6214922 0.82 HTR1A (0.38) TBXA2RLMNAHTR1AHTR1DHTR2C
SCHEMBL6216667 0.82 TBXA2R (0.34) TBXA2RHTR1AHTR1DHTR2CTBXAS1
SCHEMBL6212619 0.81 CHRM4 (0.46)
SCHEMBL6216818 0.81 NPC1 (0.41) HTR1AHTR1DHTR2CALDH1A1KDM4E
SCHEMBL6211980 0.80 RAB9A (0.38) TBXA2RHTR1AHTR1DHTR2CALDH1A1

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 TBXA2R 28/4885MT-CO2 2468/4885LMNA 711/4885

“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.